 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer17_STD_M11_augccpVDZ.in
 Output=12_L-valine_conformer17_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-260399.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    260408.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer17_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer17_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.242060000000     -0.691046000000      1.347213000000
  C                                                -1.257801000000     -0.369797000000     -0.148854000000
  C                                                 0.160880000000     -0.338750000000     -0.765763000000
  C                                                 1.057636000000      0.659612000000     -0.017001000000
  O                                                 1.945020000000      0.084751000000      0.805432000000
  C                                                -2.029648000000      0.917604000000     -0.430520000000
  N                                                 0.777212000000     -1.672850000000     -0.709690000000
  O                                                 0.958586000000      1.851003000000     -0.134549000000
  H                                                 0.071726000000      0.035438000000     -1.788895000000
  H                                                -1.773582000000     -1.187043000000     -0.668620000000
  H                                                 1.831378000000     -0.883345000000      0.671434000000
  H                                                 0.080206000000     -2.406377000000     -0.729845000000
  H                                                 1.409658000000     -1.824289000000     -1.485630000000
  H                                                -3.047160000000      0.833387000000     -0.044887000000
  H                                                -1.550296000000      1.774112000000      0.042015000000
  H                                                -2.088446000000      1.119506000000     -1.501518000000
  H                                                -2.261952000000     -0.810611000000      1.715282000000
  H                                                -0.697350000000     -1.610398000000      1.566250000000
  H                                                -0.777550000000      0.117788000000      1.914721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530250   0.000000
     3  C    2.560668   1.547319   0.000000
     4  C    2.995657   2.537384   1.536731   0.000000
     5  O    3.324585   3.372735   2.414780   1.339519   0.000000
     6  C    2.523566   1.527247   2.547396   3.125521   4.244904
     7  N    3.045037   2.480678   1.470657   2.449252   2.597794
     8  O    3.674299   3.137599   2.414495   1.201266   2.230754
     9  H    3.476922   2.149789   1.093053   2.121608   3.200343
    10  H    2.142921   1.097305   2.114517   3.442461   4.197415
    11  H    3.152725   3.237226   2.269952   1.858315   0.983910
    12  H    3.000820   2.505089   2.069512   3.296029   3.469917
    13  H    4.042381   3.319315   2.069899   2.906984   3.029853
    14  H    2.742303   2.158765   3.490715   4.108567   5.119117
    15  H    2.806342   2.172172   2.836338   2.836706   3.956511
    16  H    3.479905   2.176625   2.779805   3.509006   4.760418
    17  H    1.090848   2.162785   3.499765   4.022689   4.396375
    18  H    1.090823   2.189698   2.791403   3.277134   3.230247
    19  H    1.091809   2.174103   2.876469   2.719013   2.940068
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.829732   0.000000
     8  O    3.144579   3.575084   0.000000
     9  H    2.653144   2.140243   2.611447   0.000000
    10  H    2.133495   2.596968   4.120643   2.480854   0.000000
    11  H    4.400596   1.908425   2.981281   3.161290   3.857942
    12  H    3.948408   1.012070   4.387620   2.661601   2.219697
    13  H    4.523280   1.012425   3.941657   2.310977   3.347627
    14  H    1.091392   4.620499   4.133955   3.661384   2.468437
    15  H    1.089346   4.226571   2.516262   3.001029   3.053408
    16  H    1.091448   4.078755   3.418786   2.433954   2.472454
    17  H    2.764988   3.982520   4.569237   4.294311   2.462356
    18  H    3.486101   2.712588   4.197158   3.815397   2.516376
    19  H    2.776258   3.537118   3.196515   3.800635   3.060770
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.711054   0.000000
    13  H    2.390847   1.636301   0.000000
    14  H    5.221151   4.554740   5.385370   0.000000
    15  H    4.346719   4.553108   4.903419   1.770061   0.000000
    16  H    4.908987   4.210746   4.571970   1.767136   1.760854
    17  H    4.224957   3.743103   4.975349   2.533274   3.160233
    18  H    2.779167   2.551515   3.714728   3.753592   3.808637
    19  H    3.058518   3.755114   4.485301   3.082738   2.616787
                   16         17         18         19
    16  H    0.000000
    17  H    3.755430   0.000000
    18  H    4.335750   1.763476   0.000000
    19  H    3.793755   1.762144   1.764792   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.84D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4712723           1.7885275           1.4334947
 Leave Link  202 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       413.2608280726 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:02:32 2021, MaxMem=  5368709120 cpu:               9.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  9.80D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer17_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.210302870834    
 DIIS: error= 3.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.210302870834     IErMin= 1 ErrMin= 3.53D-03
 ErrMax= 3.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-02 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.65D-01 WtEn= 3.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.452 Goal=   None    Shift=    0.000
 GapD=    0.452 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.32D-02 MaxDP=1.04D+00              OVMax= 1.79D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.29D-02    CP:  1.10D+00
 E= -402.222227972633     Delta-E=       -0.011925101800 Rises=F Damp=F
 DIIS: error= 7.48D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.222227972633     IErMin= 2 ErrMin= 7.48D-04
 ErrMax= 7.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-04 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.48D-03
 Coeff-Com:  0.449D-02 0.996D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.445D-02 0.996D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.25D-03 MaxDP=2.05D-01 DE=-1.19D-02 OVMax= 8.02D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.02D-03    CP:  1.13D+00  1.15D+00
 E= -402.222532119853     Delta-E=       -0.000304147220 Rises=F Damp=F
 DIIS: error= 7.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.222532119853     IErMin= 2 ErrMin= 7.48D-04
 ErrMax= 7.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-04 BMatP= 6.39D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.60D-03
 Coeff-Com: -0.500D-01 0.512D+00 0.538D+00
 Coeff-En:   0.000D+00 0.262D+00 0.738D+00
 Coeff:     -0.496D-01 0.510D+00 0.539D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.01D-04 MaxDP=2.13D-02 DE=-3.04D-04 OVMax= 4.50D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.57D-04    CP:  1.13D+00  1.16D+00  1.09D+00
 E= -402.222929344648     Delta-E=       -0.000397224795 Rises=F Damp=F
 DIIS: error= 1.10D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.222929344648     IErMin= 4 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-05 BMatP= 6.00D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com: -0.984D-02 0.294D-01 0.106D+00 0.875D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.983D-02 0.293D-01 0.106D+00 0.875D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.10D-04 MaxDP=5.03D-03 DE=-3.97D-04 OVMax= 1.20D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.69D-05    CP:  1.13D+00  1.17D+00  1.12D+00  1.19D+00
 E= -402.222941146722     Delta-E=       -0.000011802074 Rises=F Damp=F
 DIIS: error= 6.04D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.222941146722     IErMin= 5 ErrMin= 6.04D-05
 ErrMax= 6.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-06 BMatP= 1.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.231D-02-0.557D-01-0.291D-01 0.417D+00 0.666D+00
 Coeff:      0.231D-02-0.557D-01-0.291D-01 0.417D+00 0.666D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.00D-05 MaxDP=2.71D-03 DE=-1.18D-05 OVMax= 6.50D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.21D-05    CP:  1.13D+00  1.17D+00  1.13D+00  1.29D+00  1.29D+00
 E= -402.222944877506     Delta-E=       -0.000003730784 Rises=F Damp=F
 DIIS: error= 2.13D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.222944877506     IErMin= 6 ErrMin= 2.13D-05
 ErrMax= 2.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-07 BMatP= 4.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-02-0.265D-01-0.264D-01 0.725D-01 0.272D+00 0.706D+00
 Coeff:      0.215D-02-0.265D-01-0.264D-01 0.725D-01 0.272D+00 0.706D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.51D-05 MaxDP=1.64D-03 DE=-3.73D-06 OVMax= 2.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.95D-06    CP:  1.13D+00  1.17D+00  1.12D+00  1.31D+00  1.39D+00
                    CP:  1.23D+00
 E= -402.222945250385     Delta-E=       -0.000000372880 Rises=F Damp=F
 DIIS: error= 4.47D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.222945250385     IErMin= 7 ErrMin= 4.47D-06
 ErrMax= 4.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-08 BMatP= 3.83D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.238D-03 0.644D-03-0.293D-02-0.359D-01-0.163D-01 0.180D+00
 Coeff-Com:  0.875D+00
 Coeff:      0.238D-03 0.644D-03-0.293D-02-0.359D-01-0.163D-01 0.180D+00
 Coeff:      0.875D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.16D-06 MaxDP=1.02D-03 DE=-3.73D-07 OVMax= 8.93D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.27D-06    CP:  1.13D+00  1.17D+00  1.12D+00  1.32D+00  1.43D+00
                    CP:  1.28D+00  1.30D+00
 E= -402.222945293022     Delta-E=       -0.000000042637 Rises=F Damp=F
 DIIS: error= 1.39D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.222945293022     IErMin= 8 ErrMin= 1.39D-06
 ErrMax= 1.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-09 BMatP= 2.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-03 0.245D-02 0.174D-02-0.154D-01-0.277D-01-0.256D-01
 Coeff-Com:  0.200D+00 0.865D+00
 Coeff:     -0.129D-03 0.245D-02 0.174D-02-0.154D-01-0.277D-01-0.256D-01
 Coeff:      0.200D+00 0.865D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.85D-06 MaxDP=1.28D-04 DE=-4.26D-08 OVMax= 3.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.33D-07    CP:  1.13D+00  1.17D+00  1.12D+00  1.32D+00  1.44D+00
                    CP:  1.30D+00  1.40D+00  1.23D+00
 E= -402.222945297233     Delta-E=       -0.000000004211 Rises=F Damp=F
 DIIS: error= 7.37D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.222945297233     IErMin= 9 ErrMin= 7.37D-07
 ErrMax= 7.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-10 BMatP= 2.45D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.622D-04 0.706D-03 0.904D-03-0.145D-02-0.708D-02-0.291D-01
 Coeff-Com: -0.289D-01 0.288D+00 0.777D+00
 Coeff:     -0.622D-04 0.706D-03 0.904D-03-0.145D-02-0.708D-02-0.291D-01
 Coeff:     -0.289D-01 0.288D+00 0.777D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.04D-07 MaxDP=3.23D-05 DE=-4.21D-09 OVMax= 1.21D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.58D-07    CP:  1.13D+00  1.17D+00  1.12D+00  1.32D+00  1.44D+00
                    CP:  1.30D+00  1.44D+00  1.33D+00  1.09D+00
 E= -402.222945297812     Delta-E=       -0.000000000579 Rises=F Damp=F
 DIIS: error= 1.56D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.222945297812     IErMin=10 ErrMin= 1.56D-07
 ErrMax= 1.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-11 BMatP= 3.86D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.766D-06-0.136D-03 0.131D-04 0.158D-02 0.208D-02-0.339D-02
 Coeff-Com: -0.295D-01-0.451D-01 0.166D+00 0.908D+00
 Coeff:      0.766D-06-0.136D-03 0.131D-04 0.158D-02 0.208D-02-0.339D-02
 Coeff:     -0.295D-01-0.451D-01 0.166D+00 0.908D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.35D-07 MaxDP=1.68D-05 DE=-5.79D-10 OVMax= 4.69D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.03D-07    CP:  1.13D+00  1.17D+00  1.12D+00  1.32D+00  1.44D+00
                    CP:  1.30D+00  1.44D+00  1.36D+00  1.17D+00  1.31D+00
 E= -402.222945297874     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 5.51D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.222945297874     IErMin=11 ErrMin= 5.51D-08
 ErrMax= 5.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-12 BMatP= 3.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.750D-05-0.111D-03-0.101D-03 0.518D-03 0.128D-02 0.227D-02
 Coeff-Com: -0.349D-02-0.419D-01-0.453D-01 0.199D+00 0.888D+00
 Coeff:      0.750D-05-0.111D-03-0.101D-03 0.518D-03 0.128D-02 0.227D-02
 Coeff:     -0.349D-02-0.419D-01-0.453D-01 0.199D+00 0.888D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.79D-08 MaxDP=9.90D-06 DE=-6.22D-11 OVMax= 1.55D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.95D-08    CP:  1.13D+00  1.17D+00  1.12D+00  1.32D+00  1.44D+00
                    CP:  1.30D+00  1.44D+00  1.36D+00  1.20D+00  1.45D+00
                    CP:  1.18D+00
 E= -402.222945297874     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 1.60D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -402.222945297874     IErMin=12 ErrMin= 1.60D-08
 ErrMax= 1.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-13 BMatP= 3.20D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-05-0.900D-05-0.219D-04-0.460D-04 0.622D-04 0.709D-03
 Coeff-Com:  0.196D-02-0.373D-02-0.233D-01-0.479D-01 0.161D+00 0.911D+00
 Coeff:      0.137D-05-0.900D-05-0.219D-04-0.460D-04 0.622D-04 0.709D-03
 Coeff:      0.196D-02-0.373D-02-0.233D-01-0.479D-01 0.161D+00 0.911D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.04D-08 MaxDP=1.58D-06 DE= 0.00D+00 OVMax= 4.37D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  1.13D+00  1.17D+00  1.12D+00  1.32D+00  1.44D+00
                    CP:  1.30D+00  1.44D+00  1.36D+00  1.19D+00  1.48D+00
                    CP:  1.25D+00  1.17D+00
 E= -402.222945297905     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 5.98D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -402.222945297905     IErMin=13 ErrMin= 5.98D-09
 ErrMax= 5.98D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-14 BMatP= 2.86D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.566D-06 0.108D-04 0.656D-05-0.712D-04-0.131D-03-0.987D-04
 Coeff-Com:  0.854D-03 0.401D-02 0.198D-03-0.339D-01-0.671D-01 0.206D+00
 Coeff-Com:  0.890D+00
 Coeff:     -0.566D-06 0.108D-04 0.656D-05-0.712D-04-0.131D-03-0.987D-04
 Coeff:      0.854D-03 0.401D-02 0.198D-03-0.339D-01-0.671D-01 0.206D+00
 Coeff:      0.890D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.59D-09 MaxDP=4.15D-07 DE=-3.13D-11 OVMax= 1.63D-07

 SCF Done:  E(RM11) =  -402.222945298     A.U. after   13 cycles
            NFock= 13  Conv=0.66D-08     -V/T= 2.0070
 KE= 3.994071257776D+02 PE=-1.765010764754D+03 EE= 5.501198656061D+02
 Leave Link  502 at Thu Aug 12 21:04:36 2021, MaxMem=  5368709120 cpu:             976.7 elap:             122.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.83845453D+02

 Leave Link  801 at Thu Aug 12 21:04:36 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.46D-01 4.52D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.06D-02 3.66D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.95D-03 1.04D-02.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.26D-05 1.45D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.38D-06 2.32D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.02D-07 5.64D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.45D-09 9.93D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 5.98D-11 1.67D-06.
     10 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.01D-12 1.71D-07.
      2 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.70D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.814225D+02
      2 -0.273363D+01  0.833096D+02
      3  0.183519D+01 -0.147398D+01  0.735976D+02
 Isotropic polarizability for W=    0.088559       79.44 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.802656D+02  0.116468D+02  0.217386D+02
      2   0.451957D+02 -0.927706D+01 -0.149082D+02
      3   0.350699D+02 -0.236974D+01 -0.683046D+01
      4  -0.125026D+02 -0.270106D+02  0.121575D+02
      5   0.160624D+02  0.934861D+01 -0.548876D+02
      6   0.116850D+02 -0.116162D+02 -0.212586D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.180863D+01  0.161052D+01  0.814223D+01
      2   0.108899D+02  0.208715D+01 -0.284782D+02
      3  -0.105202D+02  0.145874D+02  0.621078D-02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.280892D+01  0.329200D+01  0.188889D+02
      2   0.567625D+01  0.472556D+00 -0.899575D+02
      3  -0.241494D+02  0.722063D+02  0.233637D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.344451D+00 -0.200408D+01 -0.630796D-01
      2  -0.200408D+01 -0.783072D+00  0.125380D+01
      3  -0.630796D-01  0.125380D+01  0.723352D+00
 OR G Eigenvalues:    -2.5927     0.5506     2.3269  Iso=    -0.0949
 Eigenvectors:
   (1)   0.535170   0.793469  -0.289827
   (2)   0.568169  -0.084208   0.818592
   (3)   0.625122  -0.602757  -0.495890
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0949 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -41.08 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 6.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.74D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.63D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.08D-02 3.13D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 9.52D-04 3.99D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.73D-05 5.83D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.90D-07 6.95D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 3.00D-09 5.47D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.71D-11 4.95D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.32D-13 4.19D-08.
      4 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.66D-15 3.60D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 3.31D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 3.31D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.86D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.814225D+02 -0.273363D+01  0.183519D+01
      2  -0.273363D+01  0.833096D+02 -0.147398D+01
      3   0.183519D+01 -0.147398D+01  0.735976D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.180863D+01  0.161052D+01  0.814223D+01
      2   0.108899D+02  0.208715D+01 -0.284782D+02
      3  -0.105202D+02  0.145874D+02  0.621078D-02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.802656D+02  0.116468D+02  0.217386D+02
      2   0.451957D+02 -0.927706D+01 -0.149082D+02
      3   0.350699D+02 -0.236974D+01 -0.683046D+01
      4  -0.125026D+02 -0.270106D+02  0.121575D+02
      5   0.160624D+02  0.934861D+01 -0.548876D+02
      6   0.116850D+02 -0.116162D+02 -0.212586D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.546648D+01  0.162089D+01 -0.434562D+01  0.118483D+01 -0.370389D+01
      2   0.162089D+01 -0.380078D+01 -0.759107D+00 -0.370389D+01  0.170842D+01
      3  -0.434562D+01 -0.759107D+00  0.211484D+00 -0.505292D+00 -0.309662D+01
                 6             7             8             9            10 
      1  -0.505292D+00 -0.326375D+01 -0.609441D+00 -0.152153D+00 -0.484098D+01
      2  -0.309662D+01 -0.609441D+00 -0.221480D+01 -0.242681D+01 -0.170743D+00
      3  -0.189167D+01 -0.152153D+00 -0.242681D+01  0.284221D+01  0.353580D+01
                11            12            13            14            15 
      1  -0.170743D+00  0.353580D+01  0.710534D+00  0.477028D+01  0.878916D+00
      2   0.399708D+01  0.901336D+00  0.477028D+01  0.135584D+01  0.330252D+01
      3   0.901336D+00  0.317515D+00  0.878916D+00  0.330252D+01  0.299017D+01
                16            17            18            19            20 
      1   0.461487D+01  0.104784D+01  0.320739D+00  0.455020D+01 -0.144448D+00
      2   0.104784D+01  0.296664D+01  0.378101D+01 -0.144448D+00 -0.209409D+01
      3   0.320739D+00  0.378101D+01 -0.403055D+01 -0.220102D+01 -0.134515D+01
                21            22            23            24            25 
      1  -0.220102D+01  0.117975D+00 -0.294276D+01 -0.118954D+01 -0.261276D+01
      2  -0.134515D+01 -0.294276D+01  0.120130D+00  0.437777D-01 -0.154879D+01
      3   0.645178D+00 -0.118954D+01  0.437777D-01 -0.280414D+01  0.100123D+01
                26            27            28            29            30 
      1  -0.154879D+01  0.100123D+01  0.607052D+00  0.714856D+00  0.248699D+00
      2  -0.638885D+00 -0.331098D+01  0.714856D+00  0.238185D+01  0.107947D+01
      3  -0.331098D+01  0.455249D+01  0.248699D+00  0.107947D+01  0.725018D+00
                31            32            33            34            35 
      1  -0.580582D+00  0.492669D+00  0.104792D+01 -0.435256D+00  0.122885D+01
      2   0.492669D+00 -0.505441D+01  0.140296D+01  0.122885D+01  0.223773D+01
      3   0.104792D+01  0.140296D+01  0.108651D+01 -0.101258D+00  0.132689D+01
                36            37            38            39            40 
      1  -0.101258D+00  0.529405D+01 -0.789869D+00  0.201759D+01  0.539140D+00
      2   0.132689D+01 -0.789869D+00  0.351678D+00  0.771621D-01  0.192587D+01
      3  -0.288936D-01  0.201759D+01  0.771621D-01  0.115941D+01  0.114381D+01
                41            42            43            44            45 
      1   0.192587D+01  0.114381D+01  0.243821D+01  0.586036D-01  0.222850D+01
      2   0.353404D+01  0.193712D+01  0.586036D-01  0.492064D+00 -0.569888D+00
      3   0.193712D+01  0.990958D+00  0.222850D+01 -0.569888D+00  0.330647D+01
                46            47            48            49            50 
      1   0.616903D+01  0.311562D+00 -0.303439D+01  0.117194D+01 -0.350052D+01
      2   0.311562D+00 -0.349368D+01 -0.366572D+00 -0.350052D+01 -0.494573D+00
      3  -0.303439D+01 -0.366572D+00  0.308050D+00 -0.614104D+00 -0.209496D+01
                51            52            53            54            55 
      1  -0.614104D+00 -0.360796D+01 -0.449800D+00  0.120535D+01  0.105454D+01
      2  -0.209496D+01 -0.449800D+00 -0.170135D+01 -0.295551D+01  0.557971D+00
      3  -0.210129D+01  0.120535D+01 -0.295551D+01  0.654664D+01  0.203034D+01
                56            57            58            59            60 
      1   0.557971D+00  0.203034D+01  0.231641D+00  0.364091D+01 -0.103594D-01
      2   0.354398D+01  0.138068D+00  0.364091D+01 -0.675550D+00  0.963450D+00
      3   0.138068D+00 -0.215858D+01 -0.103594D-01  0.963450D+00  0.737849D+00
                61            62            63            64            65 
      1   0.296154D+01 -0.975402D+00 -0.251579D+01 -0.107304D+01  0.294502D+01
      2  -0.975402D+00  0.178213D+01  0.890494D+00  0.294502D+01  0.255860D+00
      3  -0.251579D+01  0.890494D+00  0.171983D+01 -0.478744D+00 -0.359397D+00
                66            67            68            69            70 
      1  -0.478744D+00  0.369225D+01  0.927873D+00 -0.120127D+00 -0.355825D+00
      2  -0.359397D+00  0.927873D+00  0.130163D+02 -0.140953D+01 -0.414321D+00
      3  -0.364776D+00 -0.120127D+00 -0.140953D+01  0.178631D+01  0.230032D+00
                71            72            73            74            75 
      1  -0.414321D+00  0.230032D+00 -0.120598D+01  0.529907D+00 -0.922631D+00
      2  -0.865907D+00  0.264422D+01  0.529907D+00 -0.317571D-02  0.175483D+00
      3   0.264422D+01 -0.832098D+00 -0.922631D+00  0.175483D+00 -0.392169D+00
                76            77            78            79            80 
      1   0.717253D+00  0.135284D+00  0.158665D+00 -0.125325D+01  0.502412D+00
      2   0.135284D+00  0.126105D+01 -0.167573D+01  0.502412D+00 -0.191506D+01
      3   0.158665D+00 -0.167573D+01  0.199912D+01 -0.111360D+00  0.185129D+01
                81            82            83            84            85 
      1  -0.111360D+00 -0.238976D+01 -0.175842D+01 -0.175387D+01 -0.237173D+01
      2   0.185129D+01 -0.175842D+01 -0.243576D+01 -0.836622D+00 -0.263475D+01
      3  -0.800873D+01 -0.175387D+01 -0.836622D+00 -0.130829D+01 -0.880538D+00
                86            87            88            89            90 
      1  -0.263475D+01 -0.880538D+00 -0.222032D+01 -0.836128D+00 -0.129675D+01
      2  -0.521209D+01 -0.227789D+01 -0.836128D+00 -0.235113D+01 -0.223385D+01
      3  -0.227789D+01 -0.225076D+01 -0.129675D+01 -0.223385D+01 -0.201508D+01
                91            92            93            94            95 
      1   0.107188D+01 -0.728376D+00 -0.354226D-01 -0.222208D+01 -0.179705D+00
      2  -0.728376D+00 -0.364742D-01 -0.598808D+00 -0.179705D+00 -0.486559D+01
      3  -0.354226D-01 -0.598808D+00  0.865007D-01 -0.163731D+01 -0.627658D+00
                96            97            98            99           100 
      1  -0.163731D+01  0.221881D-01 -0.677726D+00 -0.664429D-01 -0.217456D+01
      2  -0.627658D+00 -0.677726D+00 -0.230515D+00 -0.897100D+00 -0.180131D+01
      3  -0.217264D+01 -0.664429D-01 -0.897100D+00  0.699721D+00 -0.178345D-01
               101           102           103           104           105 
      1  -0.180131D+01 -0.178345D-01 -0.216772D+01 -0.199964D+01 -0.273244D+00
      2  -0.389226D+01 -0.643937D+00 -0.199964D+01 -0.624387D+01 -0.118671D+01
      3  -0.643937D+00 -0.610143D+00 -0.273244D+00 -0.118671D+01 -0.128580D+01
               106           107           108           109           110 
      1   0.203945D+00  0.240660D-01  0.165603D+00  0.349347D+01 -0.160652D+01
      2   0.240660D-01 -0.454654D+00 -0.646841D+00 -0.160652D+01  0.166477D+01
      3   0.165603D+00 -0.646841D+00 -0.221588D+00 -0.236301D+01  0.129536D+01
               111           112           113           114           115 
      1  -0.236301D+01 -0.700685D+00  0.963249D+00  0.610733D+00 -0.307736D+01
      2   0.129536D+01  0.963249D+00 -0.139623D+01 -0.114480D+01  0.156002D+01
      3   0.316386D+01  0.610733D+00 -0.114480D+01 -0.997412D+00  0.300846D+01
               116           117           118           119           120 
      1   0.156002D+01  0.300846D+01 -0.103996D+02  0.138513D+01  0.168760D+01
      2  -0.198719D+01 -0.205935D+01  0.138513D+01 -0.116332D+01 -0.132292D-01
      3  -0.205935D+01 -0.371775D+01  0.168760D+01 -0.132292D-01 -0.153581D+01
               121           122           123           124           125 
      1  -0.524187D+00 -0.852450D+00  0.674104D-01  0.286653D+01 -0.435074D+00
      2  -0.852450D+00  0.193031D+00  0.519039D+00 -0.435074D+00  0.781500D+00
      3   0.674104D-01  0.519039D+00 -0.484195D-01 -0.172397D+01  0.418508D+00
               126           127           128           129           130 
      1  -0.172397D+01  0.124863D+01  0.719913D+00  0.817744D+00  0.148944D+01
      2   0.418508D+00  0.719913D+00  0.186059D+01  0.382075D+00  0.693436D+00
      3   0.483854D+00  0.817744D+00  0.382075D+00  0.745158D+00  0.363376D+00
               131           132           133           134           135 
      1   0.693436D+00  0.363376D+00  0.126983D+01  0.934683D-01  0.186934D+00
      2   0.532296D+01  0.133400D+01  0.934683D-01  0.223249D+01  0.157008D+01
      3   0.133400D+01  0.165874D+01  0.186934D+00  0.157008D+01  0.706527D+00
               136           137           138           139           140 
      1  -0.114629D+01  0.415213D+00 -0.100281D+01  0.164674D+00 -0.105691D+00
      2   0.415213D+00  0.177427D+00  0.229398D+00 -0.105691D+00  0.126863D+01
      3  -0.100281D+01  0.229398D+00 -0.656942D+00  0.397203D+00 -0.131313D+01
               141           142           143           144           145 
      1   0.397203D+00 -0.173858D+01  0.888693D+00 -0.171255D+01 -0.798397D+01
      2  -0.131313D+01  0.888693D+00 -0.199083D+01  0.255550D+01 -0.125173D+01
      3   0.145781D+01 -0.171255D+01  0.255550D+01 -0.856394D+01  0.374354D+01
               146           147           148           149           150 
      1  -0.125173D+01  0.374354D+01 -0.922948D+00 -0.853525D+00  0.453922D+00
      2  -0.104446D+01  0.803416D+00 -0.853525D+00 -0.843083D+00  0.999520D+00
      3   0.803416D+00 -0.320007D+01  0.453922D+00  0.999520D+00 -0.188840D+00
               151           152           153           154           155 
      1   0.240456D+01  0.461654D+00 -0.223320D+01  0.147986D+01 -0.169037D+01
      2   0.461654D+00  0.672063D+00 -0.290873D+00 -0.169037D+01  0.233620D+01
      3  -0.223320D+01 -0.290873D+00  0.215090D+01  0.824577D+00 -0.720002D+00
               156           157           158           159           160 
      1   0.824577D+00 -0.188448D+01  0.197193D+01 -0.342621D+00  0.566788D+00
      2  -0.720002D+00  0.197193D+01 -0.579806D+01  0.233433D+01 -0.363772D+00
      3   0.140032D+01 -0.342621D+00  0.233433D+01 -0.213253D+01  0.832048D+00
               161           162           163           164           165 
      1  -0.363772D+00  0.832048D+00  0.778930D+00  0.741331D+00  0.124947D+01
      2   0.150796D+01 -0.126060D+01  0.741331D+00  0.139457D+01  0.561049D+00
      3  -0.126060D+01  0.101500D+01  0.124947D+01  0.561049D+00  0.146429D+01
               166           167           168           169           170 
      1   0.135475D+01  0.125143D+01  0.451186D+00  0.121661D+01  0.444847D+00
      2   0.125143D+01  0.280305D+01  0.199031D+01  0.444847D+00  0.167775D+01
      3   0.451186D+00  0.199031D+01  0.316603D+01  0.734568D+00  0.161381D+01
               171 
      1   0.734568D+00
      2   0.161381D+01
      3   0.339499D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.466687D+00 -0.782259D+01 -0.101571D+01 -0.673334D+01  0.198999D+01
      2  -0.275299D+01 -0.295135D+01  0.114280D+02 -0.196284D+01  0.112662D+02
      3  -0.208193D+01 -0.895264D+01  0.258892D+01 -0.435982D+01  0.510034D+01
                 6             7             8             9            10 
      1  -0.111682D+02 -0.115978D+01 -0.451358D+01 -0.346329D+00  0.157764D+01
      2   0.378305D+01  0.444806D+01  0.448829D+01 -0.427553D+01 -0.848798D+01
      3  -0.417803D+01  0.151760D+01 -0.264737D+01 -0.339551D+01  0.241100D+01
                11            12            13            14            15 
      1   0.563209D-01  0.768021D-01  0.808031D-01  0.533789D+00 -0.347555D+01
      2  -0.213308D+01  0.422936D+01  0.144429D+01 -0.266184D+01 -0.336596D+01
      3   0.360692D+01  0.174470D+01  0.100547D+02 -0.129564D+01  0.392127D+01
                16            17            18            19            20 
      1  -0.136200D+01  0.257345D+01 -0.197790D+01 -0.156384D+01  0.200501D+01
      2  -0.165565D+01 -0.262360D+01  0.557763D+01  0.132596D+01  0.247421D+00
      3  -0.115281D+01  0.285460D+01  0.430010D+01 -0.751733D+00 -0.372300D+01
                21            22            23            24            25 
      1  -0.640140D+00  0.447978D+01  0.366063D-01  0.897812D-01  0.289898D+01
      2  -0.114490D+01 -0.962813D+00 -0.253960D+01  0.210481D+01 -0.779058D+01
      3   0.413266D-01  0.367358D+01 -0.423659D+00 -0.267154D+01  0.126087D+01
                26            27            28            29            30 
      1   0.401275D+01  0.337697D+01 -0.148445D+01 -0.430074D+01  0.322569D+00
      2  -0.149895D+01  0.353405D+01  0.123647D+02  0.467634D+01  0.306920D+01
      3  -0.775669D+00 -0.504139D-01 -0.308866D+01 -0.769773D+01 -0.245744D+01
                31            32            33            34            35 
      1  -0.419210D+01  0.178360D-01  0.592266D+01  0.259511D+01  0.706905D+01
      2  -0.273913D+00  0.161836D+01 -0.710661D+00 -0.925675D+01 -0.317020D+01
      3  -0.504055D+01  0.816186D+01  0.241463D+01 -0.323193D+00  0.346012D+01
                36            37            38            39            40 
      1  -0.107748D+01 -0.930505D+00  0.387597D+01  0.687801D+00  0.315856D+01
      2  -0.898856D+01 -0.189379D+01 -0.127909D+01  0.478255D+01  0.228514D+00
      3   0.593196D-01  0.241770D+01 -0.688975D+01  0.759180D+00 -0.201106D+01
                41            42            43            44            45 
      1   0.802504D+01  0.375740D+00 -0.113277D+01  0.487075D+01 -0.678628D+00
      2   0.338567D+01  0.325987D+01  0.274991D+01  0.122851D+01  0.886582D+01
      3  -0.122491D+02 -0.638515D+01 -0.188187D+01 -0.562508D+01  0.906925D+00
                46            47            48            49            50 
      1   0.327590D+01  0.262898D+01 -0.524439D+00  0.260991D+01  0.240796D+01
      2   0.107605D+02  0.943624D+00 -0.637231D+00  0.161918D+01  0.284304D+01
      3   0.891052D+01 -0.124322D+02 -0.449944D+01 -0.522321D+01 -0.643043D+01
                51            52            53            54            55 
      1   0.199595D+01 -0.273365D+01  0.745312D+01 -0.773086D+01  0.444180D+01
      2   0.489739D+01 -0.762342D+01  0.713700D+01 -0.142610D+02  0.341527D+01
      3  -0.585637D+01 -0.517020D+01 -0.510517D+01 -0.548849D+01 -0.383017D+01
                56            57            58            59            60 
      1  -0.377316D+01 -0.390054D+01 -0.383439D+01  0.433683D+01 -0.368334D+01
      2  -0.881196D+00  0.215680D+01 -0.943846D+00  0.479443D+01 -0.112695D+01
      3  -0.122204D+02 -0.467302D+01 -0.169671D+01 -0.718994D+01 -0.133034D+01
                61            62            63            64            65 
      1  -0.612232D+01  0.581054D+01  0.357675D+01  0.138264D+01  0.321456D+00
      2  -0.528656D+01  0.126561D+01  0.143731D+01 -0.370695D+01 -0.185062D+01
      3  -0.340326D+01 -0.614102D+00  0.466131D+01 -0.470669D+01  0.469145D+00
                66            67            68            69            70 
      1  -0.680220D+00 -0.800882D+00 -0.855556D+00 -0.118116D+02 -0.791547D+00
      2   0.143051D+01  0.316275D+01 -0.277298D+00  0.225896D+01 -0.136750D+01
      3   0.823020D+00  0.128558D+02 -0.157203D+02  0.137511D+01  0.750035D+00
                71            72            73            74            75 
      1  -0.321962D+00  0.339117D+00 -0.891411D+00  0.436639D+00 -0.228833D+00
      2   0.513753D+01  0.129945D+01 -0.141792D+01  0.804145D+00 -0.642715D-01
      3  -0.110941D+00 -0.455462D+01  0.336709D+00 -0.541230D+00  0.492742D+00
                76            77            78            79            80 
      1  -0.106353D+00 -0.247621D+01  0.667846D+00 -0.102454D+01  0.478424D+01
      2   0.159751D+01 -0.657431D+00 -0.968423D-01 -0.367836D+01  0.823124D+00
      3   0.171063D+01 -0.418815D-01  0.857078D+00 -0.307326D+00  0.129338D+00
                81            82            83            84            85 
      1  -0.195348D+01 -0.457488D+00  0.665296D+00 -0.127135D+01  0.490390D+00
      2  -0.153698D+00  0.896593D+00  0.482769D+00  0.244832D+01 -0.145759D+01
      3  -0.389269D+00 -0.448690D+00 -0.424728D+01 -0.238509D+00  0.791780D+00
                86            87            88            89            90 
      1   0.109738D+01 -0.254044D+01 -0.302116D+00  0.149594D+01 -0.817413D+00
      2   0.144763D+01  0.350233D+01 -0.151661D+01  0.237120D+01  0.231604D+01
      3  -0.669738D+01 -0.305643D+01  0.152492D+01 -0.327380D+01 -0.250951D+01
                91            92            93            94            95 
      1  -0.110137D+00 -0.252431D+01  0.500925D-01 -0.245669D+01 -0.102457D+02
      2   0.167394D+01 -0.183929D+00 -0.103116D+00 -0.959401D+00 -0.189270D+01
      3   0.305734D+00  0.112642D+01  0.111138D+01  0.286665D+01  0.163727D+02
                96            97            98            99           100 
      1  -0.342402D+01 -0.882784D+00 -0.109590D+01  0.978810D+00  0.107969D+01
      2  -0.482412D+01 -0.114133D+01 -0.242317D+01 -0.261497D+00 -0.176124D+01
      3   0.434968D+01  0.711039D+00  0.343637D+01  0.253202D+01  0.857164D+01
               101           102           103           104           105 
      1   0.204421D+01 -0.191090D+01  0.399843D+00  0.235856D+01 -0.306258D+01
      2  -0.884390D+00  0.707454D+00 -0.162221D+01 -0.187163D+01 -0.266255D+00
      3   0.624415D+01  0.334332D+00  0.799215D+01  0.967197D+01  0.219100D+01
               106           107           108           109           110 
      1   0.498076D+00  0.157440D+00  0.594834D+00 -0.354935D+01  0.123034D+01
      2   0.253515D+00 -0.678744D-01  0.516126D+00  0.449052D+00  0.533559D+00
      3  -0.827561D+00  0.291633D+00 -0.781606D-01 -0.516756D+01  0.645377D+00
               111           112           113           114           115 
      1   0.660548D+01  0.587458D+00 -0.104967D+01 -0.199246D+01  0.486270D+01
      2   0.319924D+01 -0.472496D-01 -0.285920D+00 -0.929752D+00 -0.502774D+00
      3   0.319867D+01  0.152473D+01  0.209731D+00 -0.205309D+00  0.475890D+01
               116           117           118           119           120 
      1  -0.122830D+01 -0.587214D+01 -0.274122D+01  0.154139D-01  0.206355D+01
      2  -0.116091D+01 -0.272904D+01 -0.861605D+01  0.452169D+00  0.745701D+01
      3  -0.319713D+00 -0.407526D+01 -0.866134D+01 -0.432030D+01  0.227016D+01
               121           122           123           124           125 
      1   0.425083D+00 -0.636220D+00 -0.984084D+00  0.170987D+01  0.258034D+00
      2  -0.171801D+00 -0.180199D+01  0.190070D+00  0.435166D+01 -0.931163D+00
      3  -0.128719D+01 -0.510029D+00  0.144940D+01  0.239446D+01  0.243982D+01
               126           127           128           129           130 
      1  -0.840500D+00 -0.146394D+01 -0.105754D+01 -0.163550D+01 -0.119642D+01
      2  -0.265223D+01 -0.165216D+01 -0.490896D+00 -0.716930D+00 -0.727007D+00
      3  -0.630536D+00  0.602943D+01  0.548700D+01  0.237011D+01  0.713816D+01
               131           132           133           134           135 
      1  -0.382652D+01 -0.483127D+01 -0.401787D+00 -0.164119D+01 -0.208103D+01
      2  -0.273842D+01 -0.316849D+01 -0.141835D+01 -0.310647D+01 -0.133280D+01
      3   0.136489D+02  0.435896D+01  0.284814D+01  0.539859D+01  0.391693D+01
               136           137           138           139           140 
      1   0.685925D+00 -0.446475D+00  0.616033D+00 -0.560928D+00  0.173418D+00
      2   0.145310D+01 -0.546957D+00  0.175716D+01 -0.376765D+00  0.266863D+01
      3   0.192195D-01  0.233459D+00 -0.175583D+00  0.145592D+01  0.288500D+01
               141           142           143           144           145 
      1  -0.213700D+01  0.793646D+00  0.136274D+01  0.891246D+01  0.112130D+01
      2  -0.319383D+01 -0.687392D+00 -0.450124D+01  0.181746D+02  0.856460D+01
      3  -0.237729D+01 -0.477739D+00 -0.402235D+01  0.445338D+01  0.513966D+01
               146           147           148           149           150 
      1  -0.203621D+01 -0.164179D+01 -0.585304D+00 -0.287777D+00  0.430747D+00
      2   0.535891D+00  0.163218D+01  0.907999D+00 -0.624908D+00 -0.262973D+00
      3  -0.299686D+01 -0.153915D+01  0.465144D+00 -0.713903D+00  0.110588D+01
               151           152           153           154           155 
      1  -0.106147D+01  0.209666D+01  0.122740D+01 -0.258500D+01  0.463617D+01
      2  -0.261199D+01 -0.557720D+00 -0.256791D+00 -0.543538D+01  0.423859D+01
      3  -0.139449D+01  0.136697D+01  0.148374D+01 -0.511925D+01  0.387887D+01
               156           157           158           159           160 
      1   0.139197D+01  0.403824D+01 -0.843843D+01 -0.845913D+00  0.502645D+00
      2  -0.164132D+01  0.492724D+01 -0.719823D+01  0.265838D+01 -0.298827D+01
      3  -0.121540D+01  0.692501D+01 -0.887952D+01  0.283280D+01 -0.106542D+01
               161           162           163           164           165 
      1   0.243766D+01 -0.100541D+01  0.267914D+01  0.404522D+01  0.163513D+01
      2   0.234791D+01 -0.235222D+01 -0.426125D+01 -0.245349D+01 -0.319134D+01
      3   0.182344D+01 -0.274498D+01  0.108284D+01  0.672142D+00 -0.194326D+00
               166           167           168           169           170 
      1   0.327835D+01  0.757918D+01  0.367508D+01  0.174531D+01  0.607653D+01
      2  -0.438205D+01 -0.547396D+01 -0.470902D+01 -0.498290D+01 -0.338907D+01
      3   0.286955D+01  0.273254D+01  0.212236D+01  0.237903D+00  0.129335D+01
               171 
      1   0.463315D+01
      2  -0.537543D+01
      3   0.160301D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.149071D+02 -0.880628D+01  0.183122D+02 -0.746451D+01  0.198241D+02
      2   0.141985D+02  0.131407D+02 -0.941241D+01  0.114604D+02 -0.940785D+01
      3   0.708600D+00 -0.433444D+01 -0.889977D+01 -0.399585D+01 -0.104163D+02
      4  -0.118411D+02  0.539501D+01  0.773198D+01  0.647742D+01  0.169565D+01
      5   0.265388D+02  0.569519D+01 -0.126437D+02  0.384258D+01 -0.159125D+01
      6   0.913521D+01 -0.101074D+02 -0.353815D+01 -0.916880D+01  0.639290D+01
                 6             7             8             9            10 
      1   0.438521D+01  0.133485D+02  0.423277D+01 -0.761788D+01  0.109591D+02
      2   0.877670D+01 -0.657575D+01  0.718398D+01 -0.118568D+01 -0.124491D+02
      3  -0.131619D+02 -0.677275D+01 -0.114167D+02  0.880356D+01  0.148999D+01
      4   0.573729D+01  0.656023D+01  0.439755D+01  0.583112D+01 -0.378865D+01
      5   0.141705D+01 -0.997332D+01  0.372335D+01 -0.572383D+01 -0.119087D+02
      6  -0.787085D+01 -0.217330D+01 -0.592400D+01 -0.857550D+01 -0.605348D+01
                11            12            13            14            15 
      1   0.261159D+00 -0.101441D+02  0.411652D+01 -0.118619D+02 -0.195634D+01
      2  -0.623998D+00  0.411535D+01 -0.312328D+01 -0.623179D-02 -0.360363D+01
      3   0.362839D+00  0.602875D+01 -0.993241D+00  0.118682D+02  0.555997D+01
      4  -0.160812D+02 -0.542185D+01 -0.165819D+02 -0.865368D+01 -0.122558D+02
      5  -0.325585D+01 -0.158115D+01 -0.149077D+01 -0.136080D+02 -0.786734D+01
      6  -0.501340D+01 -0.605735D+00 -0.559527D+01 -0.541194D+01 -0.368145D+01
                16            17            18            19            20 
      1  -0.110831D+02 -0.160705D+01  0.318566D+01 -0.838851D+01 -0.687367D+01
      2   0.411144D+01 -0.195388D+01 -0.202291D+01  0.781403D+01  0.827466D+01
      3   0.697166D+01  0.356093D+01 -0.116275D+01  0.574483D+00 -0.140099D+01
      4  -0.320198D+01 -0.953955D+01 -0.115395D+02  0.525266D+01 -0.723388D-01
      5  -0.293485D+01 -0.106556D+02  0.910715D+01  0.484504D+00 -0.118559D+01
      6  -0.217854D+01 -0.571899D+01 -0.495805D-01  0.469680D+01  0.504792D+01
                21            22            23            24            25 
      1   0.255278D+00 -0.404362D+01  0.319457D+01 -0.438380D+01  0.459570D+01
      2   0.194406D+00  0.435656D+01 -0.566043D+00 -0.523132D+01  0.456237D+00
      3  -0.449684D+00 -0.312933D+00 -0.262853D+01  0.961512D+01 -0.505194D+01
      4   0.673439D+00 -0.467496D+01  0.961659D+01  0.110303D+01 -0.135334D+01
      5  -0.132765D+01 -0.157782D+01  0.258151D+01  0.458813D+01  0.236209D+01
      6   0.330197D+01  0.158224D+01  0.446025D+00 -0.645820D+01 -0.803710D+00
                26            27            28            29            30 
      1  -0.669709D+01  0.809652D+01 -0.394482D+01  0.181496D+01 -0.932602D-01
      2  -0.162404D+01  0.141117D+02  0.583668D+00 -0.208600D+01  0.654013D+01
      3   0.832113D+01 -0.222082D+02  0.336115D+01  0.271043D+00 -0.644687D+01
      4   0.440622D+01 -0.298597D+01  0.282866D+01  0.242375D+01  0.127914D+01
      5  -0.913260D+00 -0.116593D+01 -0.641543D+01  0.328718D+01 -0.139185D+01
      6   0.315796D+01  0.589113D+01 -0.184486D+01 -0.237380D+01  0.163535D+01
                31            32            33            34            35 
      1   0.581084D+01  0.182961D+02  0.161330D+01 -0.100493D+02  0.552449D+01
      2  -0.595287D+01 -0.338978D+02 -0.266017D+00  0.825046D+01 -0.145683D+01
      3   0.142030D+00  0.156017D+02 -0.134729D+01  0.179886D+01 -0.406766D+01
      4  -0.133243D+02 -0.165927D+02  0.366719D+01  0.334296D+01 -0.415515D+00
      5   0.589007D+01  0.593714D+01 -0.896196D+00  0.681978D+00  0.137022D+01
      6   0.415633D+00  0.192105D+01 -0.102793D+02 -0.986881D+00  0.819182D+00
                36            37            38            39            40 
      1  -0.575149D+00  0.350594D+02 -0.199548D+01  0.715261D+01  0.267163D+01
      2  -0.257982D+01 -0.230055D+02  0.166567D+01 -0.932072D+01 -0.177263D+01
      3   0.315497D+01 -0.120539D+02  0.329806D+00  0.216812D+01 -0.898995D+00
      4   0.980079D+00 -0.209434D+01  0.792956D+01  0.343790D+00  0.131428D+02
      5  -0.757207D+01  0.142587D+02 -0.114511D+01  0.140504D+02  0.245971D+01
      6  -0.129925D+01  0.702158D+00  0.102029D+01 -0.223147D+01  0.396847D+00
                41            42            43            44            45 
      1   0.627053D+01  0.419457D+01  0.102668D+02 -0.255151D+00  0.309627D+01
      2  -0.221485D+01 -0.361977D+01 -0.104024D+02  0.111611D+01 -0.150657D+02
      3  -0.405568D+01 -0.574798D+00  0.135524D+00 -0.860960D+00  0.119694D+02
      4   0.990388D+01  0.579649D+01 -0.221101D+01  0.386021D+01 -0.764692D+00
      5   0.622670D+01  0.304848D+01  0.156838D+02 -0.179115D+01  0.174554D+02
      6  -0.139486D+01  0.500277D+01  0.361875D+00  0.433759D+01 -0.108789D+00
                46            47            48            49            50 
      1  -0.409350D+02  0.514187D+01  0.181767D+02 -0.197985D+01  0.170294D+02
      2   0.218783D+02 -0.101530D+02 -0.101344D+02 -0.590411D+01 -0.102352D+02
      3   0.190567D+02  0.501108D+01 -0.804223D+01  0.788396D+01 -0.679420D+01
      4   0.555750D+01  0.127614D+02 -0.228584D+01  0.136420D+02 -0.384086D+01
      5   0.132456D+02  0.374174D+00 -0.535613D+00  0.127572D+01  0.105175D+02
      6  -0.538539D+01 -0.410930D-01  0.710577D+00  0.948032D+00 -0.491835D+01
                51            52            53            54            55 
      1   0.330995D+01  0.223978D+02  0.174033D+01  0.416871D+01  0.114962D+02
      2  -0.956733D+01 -0.101598D+02 -0.911012D+01  0.699257D+01 -0.523969D+01
      3   0.625738D+01 -0.122380D+02  0.736979D+01 -0.111613D+02 -0.625653D+01
      4   0.658150D+01 -0.184245D+01  0.507553D+01  0.102206D+02 -0.473539D+01
      5   0.962310D+01 -0.446794D+01  0.112789D+02 -0.278025D+02  0.528296D+01
      6  -0.405612D+01  0.231844D+01 -0.426464D+01  0.132695D+02 -0.818102D+01
                56            57            58            59            60 
      1   0.114060D+02  0.193382D+01  0.870355D+01  0.196591D+01  0.276999D+01
      2  -0.203757D+02 -0.602397D+01 -0.164263D+02  0.483968D+01 -0.339347D+01
      3   0.896965D+01  0.409014D+01  0.772272D+01 -0.680558D+01  0.623477D+00
      4   0.305179D+01 -0.507359D+01  0.679660D+01 -0.189006D+02  0.268561D+01
      5  -0.328186D+01 -0.106339D+01 -0.224940D+01 -0.202712D+01 -0.273927D+00
      6  -0.240722D+01  0.665637D+01 -0.116130D+01 -0.518868D+01  0.386440D+01
                61            62            63            64            65 
      1  -0.702770D+00  0.254492D+01 -0.452211D+01  0.269131D+01  0.646426D+01
      2  -0.352350D+01 -0.437700D+01 -0.831224D+00  0.536048D+01 -0.222062D+01
      3   0.422627D+01  0.183208D+01  0.535334D+01 -0.805179D+01 -0.424364D+01
      4  -0.656720D+01  0.478950D+01  0.987678D+01  0.688969D+01  0.160212D+02
      5  -0.611124D+01  0.484698D+01  0.951313D+01 -0.144119D+01 -0.210796D+01
      6   0.116024D+02 -0.259004D+01 -0.635542D+01 -0.877253D+00 -0.121586D+01
                66            67            68            69            70 
      1   0.139611D+00  0.334189D+01 -0.344795D+02  0.204227D+01  0.539493D+00
      2  -0.109797D+01  0.147090D+01  0.638988D+02 -0.275138D+01 -0.176160D+01
      3   0.958361D+00 -0.481279D+01 -0.294193D+02  0.709105D+00  0.122211D+01
      4  -0.171008D+01  0.202381D+02  0.320183D+02 -0.380555D+01 -0.166364D+01
      5   0.425425D+01 -0.161577D+01 -0.710399D+01  0.699141D+01  0.446335D+01
      6   0.862423D+00 -0.207759D+01 -0.395162D+01  0.170154D+02  0.186770D+01
                71            72            73            74            75 
      1  -0.192585D-01 -0.754101D+01  0.559819D+00  0.410490D+00 -0.572563D+00
      2  -0.127802D+01  0.654686D+01 -0.503903D+01  0.511002D-01 -0.841318D+00
      3   0.129728D+01  0.994150D+00  0.447921D+01 -0.461590D+00  0.141388D+01
      4  -0.172128D+01  0.666314D+01 -0.103208D-01  0.165947D+01 -0.795614D+00
      5   0.741837D+01 -0.249523D+01  0.991246D+00 -0.169388D+01  0.663222D+01
      6   0.154298D+02 -0.211496D+01 -0.215145D+01 -0.114978D-01 -0.100914D+00
                76            77            78            79            80 
      1   0.294362D+00 -0.419127D+01  0.460290D+01 -0.483059D+00  0.349154D+01
      2   0.819801D+00 -0.138659D+01  0.426783D+01 -0.170824D+01  0.512372D+01
      3  -0.111416D+01  0.557786D+01 -0.887074D+01  0.219130D+01 -0.861526D+01
      4   0.228396D+01  0.631026D+00 -0.173947D+00 -0.189321D-01 -0.205757D+01
      5  -0.121537D+01  0.290377D+00 -0.269914D+00  0.514094D+01  0.179128D+00
      6   0.785018D+00 -0.446573D+01  0.825134D+01 -0.924237D+00  0.624144D+01
                81            82            83            84            85 
      1  -0.188338D+02  0.102967D+02  0.541694D+01  0.524928D+01  0.409571D+01
      2  -0.195316D+02 -0.248124D+01 -0.419762D+00 -0.204632D+01  0.181644D+01
      3   0.383655D+02 -0.781547D+01 -0.499718D+01 -0.320295D+01 -0.591215D+01
      4   0.100988D+01  0.129566D+02  0.145882D+02  0.621342D+01  0.151903D+02
      5  -0.389166D+00  0.882465D+01  0.547986D+01  0.789977D+01  0.556922D+01
      6  -0.570681D+01  0.475936D+01  0.410008D+01  0.370577D+01  0.478769D+01
                86            87            88            89            90 
      1  -0.355324D+00  0.121788D+00  0.420104D+01 -0.107257D+01 -0.629397D+00
      2   0.108730D+02  0.365034D+01 -0.229461D+01  0.192126D+01 -0.135934D+01
      3  -0.105177D+02 -0.377213D+01 -0.190643D+01 -0.848683D+00  0.198874D+01
      4   0.220915D+02  0.964154D+01  0.558361D+01  0.917135D+01  0.939674D+01
      5   0.905310D+01  0.802041D+01  0.859943D+01  0.856731D+01  0.879502D+01
      6   0.109728D+02  0.892801D+01  0.429300D+01  0.969896D+01  0.826673D+01
                91            92            93            94            95 
      1   0.241026D+01 -0.300543D+01 -0.222439D+00 -0.994733D+01 -0.336217D+01
      2  -0.281026D-01  0.641235D+00  0.200640D+01  0.624960D+01  0.293535D+01
      3  -0.238216D+01  0.236419D+01 -0.178396D+01  0.369773D+01  0.426821D+00
      4  -0.490837D+01  0.107858D+01 -0.190223D+01  0.830691D+00 -0.153472D+02
      5  -0.595297D+00 -0.198409D+01 -0.492185D+00 -0.681778D+01 -0.116471D+01
      6  -0.595255D+00  0.176745D+01 -0.915010D+00  0.333328D+01 -0.172818D+01
                96            97            98            99           100 
      1  -0.478316D+01 -0.271218D+01 -0.821646D+00 -0.192552D+01 -0.505059D+01
      2   0.567016D+01  0.216994D+01 -0.519617D-01  0.190803D+01  0.860460D+01
      3  -0.886995D+00  0.542243D+00  0.873608D+00  0.174918D-01 -0.355401D+01
      4   0.761498D-01 -0.312483D+01  0.446078D-01 -0.277336D+01  0.769820D+01
      5  -0.757990D+01  0.156969D+00 -0.292530D+01  0.577287D+00  0.316268D+01
      6   0.273317D+01  0.204317D+00  0.274371D+01 -0.278511D+01  0.231076D+01
               101           102           103           104           105 
      1  -0.119124D+02 -0.230245D+01 -0.795655D+01 -0.203837D+02 -0.458349D+01
      2   0.182187D+02  0.159451D+01  0.111199D+02  0.307703D+02  0.394345D+01
      3  -0.630634D+01  0.707937D+00 -0.316331D+01 -0.103866D+02  0.640032D+00
      4   0.750328D+01  0.263552D+00  0.749218D+01  0.595482D+01  0.157490D+00
      5   0.245868D+01  0.922947D+00  0.274468D+01  0.207507D+01 -0.639847D+00
      6   0.720483D+01  0.341286D+01  0.376636D+01  0.120012D+02  0.740562D+01
               106           107           108           109           110 
      1   0.110397D+01 -0.160197D+01 -0.130810D+01  0.404945D+01  0.133294D+01
      2  -0.417961D+00  0.156261D+01  0.121243D+01 -0.466374D+01 -0.154561D+01
      3  -0.686005D+00  0.393648D-01  0.956698D-01  0.614284D+00  0.212665D+00
      4   0.717120D-02 -0.179489D+00  0.144890D+00 -0.120158D+02  0.800441D+01
      5   0.240241D+01  0.132515D+00  0.559706D+00 -0.133781D+02  0.670502D+01
      6  -0.329488D+00  0.479907D+01  0.152274D+01  0.106687D+02 -0.829229D+01
               111           112           113           114           115 
      1   0.837200D-01  0.107616D+01 -0.382377D+01 -0.289183D+01  0.526531D+00
      2   0.415821D+01 -0.184251D+01  0.423664D+01  0.290059D+01  0.437226D+01
      3  -0.424193D+01  0.766347D+00 -0.412867D+00 -0.876270D-02 -0.489879D+01
      4   0.904539D+01  0.584036D+01 -0.494434D+01 -0.441864D+01  0.106931D+02
      5   0.131139D+02  0.274019D+01 -0.442995D+01 -0.323589D+01  0.143369D+02
      6  -0.133222D+02 -0.497916D+01  0.706232D+01  0.820384D+01 -0.129242D+02
               116           117           118           119           120 
      1  -0.463907D+01 -0.416540D+01  0.707877D+02 -0.653585D+01 -0.110365D+02
      2   0.248552D+01 -0.451499D+01 -0.349888D+02  0.135539D+01  0.568134D+01
      3   0.215355D+01  0.868039D+01 -0.357989D+02  0.518046D+01  0.535518D+01
      4  -0.715224D+01 -0.110808D+02 -0.180293D+02  0.108804D+02  0.235950D+01
      5  -0.739781D+01 -0.148244D+02 -0.621177D+01  0.938944D-01  0.107063D+02
      6   0.122619D+02  0.165560D+02  0.348255D+01  0.121175D-01 -0.332180D+01
               121           122           123           124           125 
      1   0.345240D+01  0.517131D+01 -0.965518D+00 -0.176960D+02  0.167925D+01
      2  -0.345631D+01 -0.800170D+00  0.164933D+01  0.916532D+01  0.757644D+00
      3   0.390927D-02 -0.437114D+01 -0.683808D+00  0.853070D+01 -0.243689D+01
      4   0.861852D+01 -0.141767D+01 -0.291696D+01  0.520572D+01 -0.440050D+01
      5  -0.128874D+00 -0.251508D+01  0.326601D+00  0.112750D+02 -0.200426D+01
      6  -0.331342D+00  0.943365D+00  0.133987D+01 -0.293146D+01  0.174639D+01
               126           127           128           129           130 
      1   0.830966D+01 -0.107974D+01 -0.556125D+01 -0.405578D+01 -0.776420D+01
      2  -0.623925D+01  0.275790D+01  0.687269D+01  0.286980D+01  0.673545D+01
      3  -0.207040D+01 -0.167816D+01 -0.131144D+01  0.118598D+01  0.102875D+01
      4  -0.301427D+01  0.139333D+01 -0.306753D+01  0.756094D+00  0.278865D+01
      5  -0.408199D+01 -0.289687D+01 -0.984976D+00 -0.197884D+01 -0.196939D+01
      6   0.620833D+00  0.182643D+01  0.770248D+00  0.230073D+01  0.814968D+00
               131           132           133           134           135 
      1  -0.156836D+02 -0.483745D+01 -0.623252D+01 -0.452517D+01 -0.547796D+01
      2   0.255977D+02  0.763619D+01  0.323342D+01  0.794757D+01  0.351074D+01
      3  -0.991405D+01 -0.279875D+01  0.299910D+01 -0.342239D+01  0.196722D+01
      4  -0.150529D+02 -0.350845D+01  0.250772D+01 -0.663779D+01 -0.395583D+01
      5  -0.554649D+01 -0.677397D+01  0.380455D+00 -0.558302D+01 -0.155612D+01
      6   0.453454D+01  0.645997D+01  0.757955D+00  0.631696D+01  0.327158D+01
               136           137           138           139           140 
      1   0.589469D+01 -0.211605D+01  0.361768D+01 -0.230866D+00 -0.492058D+01
      2  -0.511927D+01  0.165052D+01 -0.264570D+01  0.505434D+00  0.323672D+01
      3  -0.775426D+00  0.465530D+00 -0.971973D+00 -0.274568D+00  0.168386D+01
      4  -0.320369D+01  0.165282D+01 -0.304963D+01  0.267214D+01 -0.505223D+01
      5   0.533019D+01 -0.246034D+01  0.848706D+01 -0.252245D+01  0.561006D+01
      6  -0.204414D+01  0.970011D+00 -0.183632D+01  0.183864D+01 -0.540004D+01
               141           142           143           144           145 
      1   0.235322D+01  0.531985D+01  0.239698D+01 -0.970948D+01  0.347744D+02
      2  -0.118549D+01 -0.536683D+01 -0.483322D-01 -0.140401D+02 -0.238784D+02
      3  -0.116774D+01  0.469791D-01 -0.234864D+01  0.237496D+02 -0.108960D+02
      4   0.599574D+01 -0.653683D+01  0.886093D+01 -0.964748D+01  0.162436D+02
      5  -0.694094D+01  0.137839D+02 -0.114070D+02  0.382758D+02 -0.352044D+02
      6   0.100046D+02 -0.395108D+01  0.109612D+02 -0.199585D+02 -0.732693D+01
               146           147           148           149           150 
      1   0.342707D+01 -0.102105D+02  0.247467D+01  0.122645D+01 -0.527391D+00
      2  -0.169505D+01  0.134128D+02 -0.844937D+00 -0.226731D+00 -0.619690D+00
      3  -0.173202D+01 -0.320232D+01 -0.162973D+01 -0.999722D+00  0.114708D+01
      4   0.932021D+01 -0.806176D+01  0.835710D+01  0.438494D+01 -0.473179D+01
      5  -0.607888D+01  0.235597D+02 -0.383444D+01 -0.496326D+01  0.237520D+01
      6  -0.514646D+01  0.633761D+01 -0.382031D+01 -0.332290D+01  0.504009D+01
               151           152           153           154           155 
      1  -0.576835D+01 -0.676214D+00  0.424998D+01 -0.418997D+01  0.873214D+01
      2   0.924973D+01  0.449761D+00 -0.101283D+02  0.378913D+01 -0.856366D+01
      3  -0.348138D+01  0.226453D+00  0.587831D+01  0.400843D+00 -0.168489D+00
      4  -0.516879D+01 -0.338952D+01  0.447429D+01 -0.121813D+01  0.118567D+01
      5   0.180092D+02  0.303584D+01 -0.151944D+02  0.149381D+01 -0.319695D+01
      6   0.465865D+01  0.420966D+01 -0.399632D+01 -0.501842D+01  0.865330D+01
               156           157           158           159           160 
      1  -0.682130D+01  0.794210D+01 -0.211382D+02  0.878246D+01 -0.383837D+01
      2   0.138620D+01 -0.799664D+01  0.233046D+02 -0.411233D+01  0.748700D+00
      3   0.543510D+01  0.545381D-01 -0.216642D+01 -0.467013D+01  0.308967D+01
      4  -0.412889D+00  0.254998D+01  0.666071D+01 -0.384775D+01 -0.727704D+00
      5   0.188704D+01 -0.465137D+01  0.597819D+00  0.213068D+01  0.297458D+01
      6  -0.520668D+01  0.613390D+01 -0.205535D+02  0.132726D+02 -0.388759D+01
               161           162           163           164           165 
      1   0.633498D+01 -0.740799D+01 -0.191996D+01 -0.124632D+01 -0.701501D+01
      2  -0.298148D+01  0.240246D+01 -0.237551D+01 -0.236498D+01 -0.165978D+01
      3  -0.335351D+01  0.500553D+01  0.429547D+01  0.361130D+01  0.867479D+01
      4  -0.166109D+01  0.762766D-01  0.291153D+00 -0.925128D+00 -0.142681D+01
      5  -0.187108D+00  0.854272D+00  0.273800D+00  0.180752D+01  0.309839D+01
      6   0.108928D+02 -0.674062D+01  0.189628D+01  0.506279D+01  0.215458D+01
               166           167           168           169           170 
      1  -0.277048D+01 -0.831808D+01 -0.826405D+01 -0.495746D+01 -0.504741D+01
      2  -0.859684D+00  0.128188D+00 -0.610949D+01 -0.770325D+00 -0.468384D+01
      3   0.363017D+01  0.818989D+01  0.143735D+02  0.572778D+01  0.973125D+01
      4  -0.917130D+00 -0.588889D+01 -0.394793D+01 -0.148378D+01 -0.345136D+01
      5   0.355127D+01  0.605568D-01 -0.404314D+01  0.465877D+01 -0.421628D+00
      6   0.416636D+01  0.105876D+02  0.842173D+01  0.229258D+01  0.819073D+01
               171 
      1  -0.104580D+02
      2  -0.825086D+01
      3   0.187089D+02
      4  -0.291180D+01
      5  -0.249705D+01
      6   0.681826D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:24:52 2021, MaxMem=  5368709120 cpu:            9701.1 elap:            1215.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50817 -19.45674 -14.64184 -10.56839 -10.49384
 Alpha  occ. eigenvalues --  -10.46303 -10.43507 -10.42794  -1.24310  -1.15239
 Alpha  occ. eigenvalues --   -1.06385  -0.95225  -0.84303  -0.82878  -0.73768
 Alpha  occ. eigenvalues --   -0.72177  -0.64729  -0.63579  -0.61754  -0.59475
 Alpha  occ. eigenvalues --   -0.55895  -0.55720  -0.54101  -0.51686  -0.49997
 Alpha  occ. eigenvalues --   -0.49142  -0.45875  -0.45214  -0.44922  -0.42625
 Alpha  occ. eigenvalues --   -0.40910  -0.37272
 Alpha virt. eigenvalues --   -0.02195  -0.00668  -0.00290   0.00389   0.01713
 Alpha virt. eigenvalues --    0.01805   0.02408   0.03051   0.03865   0.04652
 Alpha virt. eigenvalues --    0.04925   0.05990   0.07641   0.08111   0.08660
 Alpha virt. eigenvalues --    0.08915   0.09180   0.09972   0.10797   0.11592
 Alpha virt. eigenvalues --    0.12579   0.12661   0.12944   0.13799   0.13923
 Alpha virt. eigenvalues --    0.14348   0.14979   0.15568   0.16501   0.16620
 Alpha virt. eigenvalues --    0.17065   0.18483   0.19612   0.19790   0.21963
 Alpha virt. eigenvalues --    0.22460   0.23734   0.24059   0.24303   0.25575
 Alpha virt. eigenvalues --    0.26335   0.26553   0.27616   0.27722   0.28408
 Alpha virt. eigenvalues --    0.29299   0.30308   0.31246   0.31938   0.32235
 Alpha virt. eigenvalues --    0.32726   0.33428   0.33623   0.34916   0.35344
 Alpha virt. eigenvalues --    0.36590   0.38055   0.38207   0.40000   0.40485
 Alpha virt. eigenvalues --    0.40792   0.41261   0.42139   0.42428   0.42920
 Alpha virt. eigenvalues --    0.43390   0.43950   0.45205   0.45783   0.46729
 Alpha virt. eigenvalues --    0.47374   0.48174   0.48789   0.49537   0.50100
 Alpha virt. eigenvalues --    0.51661   0.52326   0.53188   0.53632   0.54248
 Alpha virt. eigenvalues --    0.54690   0.55137   0.56031   0.56882   0.57708
 Alpha virt. eigenvalues --    0.58474   0.59667   0.60361   0.61145   0.61419
 Alpha virt. eigenvalues --    0.62528   0.64545   0.65324   0.65541   0.66859
 Alpha virt. eigenvalues --    0.67661   0.68538   0.69095   0.69297   0.70335
 Alpha virt. eigenvalues --    0.70924   0.71401   0.72396   0.73550   0.74030
 Alpha virt. eigenvalues --    0.74739   0.76184   0.77470   0.77687   0.78239
 Alpha virt. eigenvalues --    0.79834   0.80573   0.81866   0.82249   0.83372
 Alpha virt. eigenvalues --    0.85376   0.86098   0.87409   0.88020   0.89920
 Alpha virt. eigenvalues --    0.90717   0.91787   0.93051   0.94466   0.95832
 Alpha virt. eigenvalues --    1.00121   1.01808   1.01896   1.02508   1.04953
 Alpha virt. eigenvalues --    1.05526   1.06630   1.09058   1.10591   1.11903
 Alpha virt. eigenvalues --    1.12445   1.15457   1.16735   1.19141   1.19637
 Alpha virt. eigenvalues --    1.21516   1.21890   1.22958   1.25188   1.27026
 Alpha virt. eigenvalues --    1.28900   1.30972   1.31376   1.32744   1.34902
 Alpha virt. eigenvalues --    1.35574   1.39082   1.42468   1.43801   1.47016
 Alpha virt. eigenvalues --    1.47500   1.49946   1.50913   1.54674   1.56237
 Alpha virt. eigenvalues --    1.58157   1.58865   1.60878   1.63622   1.65335
 Alpha virt. eigenvalues --    1.68810   1.71410   1.72833   1.73470   1.77244
 Alpha virt. eigenvalues --    1.79104   1.80591   1.81610   1.82140   1.83537
 Alpha virt. eigenvalues --    1.85346   1.85738   1.87169   1.88774   1.90592
 Alpha virt. eigenvalues --    1.92221   1.93970   1.96191   1.97134   1.98282
 Alpha virt. eigenvalues --    1.99637   2.01692   2.02385   2.03958   2.07346
 Alpha virt. eigenvalues --    2.09890   2.10967   2.11363   2.14051   2.15359
 Alpha virt. eigenvalues --    2.15811   2.18231   2.19108   2.21242   2.23596
 Alpha virt. eigenvalues --    2.24039   2.25987   2.26660   2.29082   2.30463
 Alpha virt. eigenvalues --    2.32965   2.33609   2.36097   2.37907   2.39002
 Alpha virt. eigenvalues --    2.42199   2.42491   2.43987   2.46518   2.51456
 Alpha virt. eigenvalues --    2.53441   2.55533   2.56053   2.59485   2.60746
 Alpha virt. eigenvalues --    2.63395   2.66824   2.67515   2.70120   2.72072
 Alpha virt. eigenvalues --    2.73727   2.76081   2.79759   2.81722   2.89162
 Alpha virt. eigenvalues --    2.90560   2.93982   2.97123   3.05821   3.11040
 Alpha virt. eigenvalues --    3.16423   3.18885   3.29792   3.37002   3.46125
 Alpha virt. eigenvalues --    3.48731   3.50156   3.54084   3.55087   3.57062
 Alpha virt. eigenvalues --    3.58826   3.63796   3.70205   3.85027   3.90849
 Alpha virt. eigenvalues --    4.08214
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.054340  -0.326003  -0.606958   0.106541   0.008261  -0.204350
     2  C   -0.326003   9.219142   0.461400  -0.988434   0.030824  -0.492254
     3  C   -0.606958   0.461400  10.216803  -2.279885   0.078844  -0.445244
     4  C    0.106541  -0.988434  -2.279885   7.648748   0.013278   0.175877
     5  O    0.008261   0.030824   0.078844   0.013278   7.966273  -0.000025
     6  C   -0.204350  -0.492254  -0.445244   0.175877  -0.000025   5.320420
     7  N    0.096394  -0.017368  -0.426872   0.278932  -0.064454   0.008002
     8  O    0.022177  -0.010366  -0.013255   0.584286  -0.055098   0.005617
     9  H    0.124227  -0.046684  -1.243227   0.056516   0.031064   0.072100
    10  H    0.134513  -1.756737   0.184588   0.193697  -0.000699   0.097998
    11  H   -0.011812  -0.033096  -0.173540   0.023953   0.194969   0.013379
    12  H   -0.034485  -0.041167  -0.074720  -0.021959   0.019636   0.040462
    13  H   -0.009388  -0.040794   0.328383  -0.072311  -0.011407  -0.014024
    14  H   -0.029208   0.373296   0.154442  -0.071342  -0.002471  -0.056641
    15  H   -0.143459  -0.316859  -0.085423   0.139285  -0.008443   0.559421
    16  H    0.065226   0.192679  -0.318749   0.047972   0.008957   0.124092
    17  H    0.153566   0.013159  -0.005033  -0.000616  -0.002695   0.151131
    18  H   -0.200554   0.497556  -0.245058   0.082059   0.012427  -0.080211
    19  H    0.545781  -0.348777  -0.017436  -0.017692   0.013324  -0.113876
               7          8          9         10         11         12
     1  C    0.096394   0.022177   0.124227   0.134513  -0.011812  -0.034485
     2  C   -0.017368  -0.010366  -0.046684  -1.756737  -0.033096  -0.041167
     3  C   -0.426872  -0.013255  -1.243227   0.184588  -0.173540  -0.074720
     4  C    0.278932   0.584286   0.056516   0.193697   0.023953  -0.021959
     5  O   -0.064454  -0.055098   0.031064  -0.000699   0.194969   0.019636
     6  C    0.008002   0.005617   0.072100   0.097998   0.013379   0.040462
     7  N    6.623958  -0.015836  -0.034749   0.010157   0.066446   0.093531
     8  O   -0.015836   7.691486   0.030254   0.002208   0.004487   0.003542
     9  H   -0.034749   0.030254   2.452503   0.015103   0.033674   0.089129
    10  H    0.010157   0.002208   0.015103   2.809050   0.002879  -0.036722
    11  H    0.066446   0.004487   0.033674   0.002879   0.701695   0.011266
    12  H    0.093531   0.003542   0.089129  -0.036722   0.011266   1.118676
    13  H    0.207297   0.000551  -0.140225   0.023175  -0.019109  -0.163261
    14  H   -0.028562   0.000694   0.022250  -0.067047  -0.001714  -0.002011
    15  H    0.026701  -0.047507  -0.013361   0.124027   0.001897  -0.001498
    16  H    0.043730   0.022342   0.025701  -0.111708   0.002495   0.009058
    17  H   -0.002684   0.004156   0.003364  -0.096243   0.003903   0.005957
    18  H    0.009239  -0.010426   0.016196  -0.040452  -0.010238  -0.012995
    19  H    0.026768   0.014212   0.014689   0.104310  -0.005796  -0.003434
              13         14         15         16         17         18
     1  C   -0.009388  -0.029208  -0.143459   0.065226   0.153566  -0.200554
     2  C   -0.040794   0.373296  -0.316859   0.192679   0.013159   0.497556
     3  C    0.328383   0.154442  -0.085423  -0.318749  -0.005033  -0.245058
     4  C   -0.072311  -0.071342   0.139285   0.047972  -0.000616   0.082059
     5  O   -0.011407  -0.002471  -0.008443   0.008957  -0.002695   0.012427
     6  C   -0.014024  -0.056641   0.559421   0.124092   0.151131  -0.080211
     7  N    0.207297  -0.028562   0.026701   0.043730  -0.002684   0.009239
     8  O    0.000551   0.000694  -0.047507   0.022342   0.004156  -0.010426
     9  H   -0.140225   0.022250  -0.013361   0.025701   0.003364   0.016196
    10  H    0.023175  -0.067047   0.124027  -0.111708  -0.096243  -0.040452
    11  H   -0.019109  -0.001714   0.001897   0.002495   0.003903  -0.010238
    12  H   -0.163261  -0.002011  -0.001498   0.009058   0.005957  -0.012995
    13  H    0.932552  -0.000738   0.001865  -0.004918  -0.001685  -0.002131
    14  H   -0.000738   1.704229  -0.413591  -0.430615  -0.039912   0.023772
    15  H    0.001865  -0.413591   1.644119  -0.311626  -0.005506   0.001830
    16  H   -0.004918  -0.430615  -0.311626   1.782450   0.041035  -0.022051
    17  H   -0.001685  -0.039912  -0.005506   0.041035   1.973549  -0.606393
    18  H   -0.002131   0.023772   0.001830  -0.022051  -0.606393   2.239311
    19  H    0.001341  -0.012901  -0.010885   0.000657  -0.418879  -0.350574
              19
     1  C    0.545781
     2  C   -0.348777
     3  C   -0.017436
     4  C   -0.017692
     5  O    0.013324
     6  C   -0.113876
     7  N    0.026768
     8  O    0.014212
     9  H    0.014689
    10  H    0.104310
    11  H   -0.005796
    12  H   -0.003434
    13  H    0.001341
    14  H   -0.012901
    15  H   -0.010885
    16  H    0.000657
    17  H   -0.418879
    18  H   -0.350574
    19  H    1.726623
 Mulliken charges:
               1
     1  C    1.255190
     2  C   -0.369517
     3  C    0.510938
     4  C    0.101097
     5  O   -0.232566
     6  C    0.838128
     7  N    0.099369
     8  O   -0.233523
     9  H   -0.508523
    10  H   -0.592098
    11  H    0.194262
    12  H    0.000996
    13  H   -0.015173
    14  H   -0.121930
    15  H   -0.140987
    16  H   -0.166725
    17  H   -0.170174
    18  H   -0.301308
    19  H   -0.147455
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.636253
     2  C   -0.961615
     3  C    0.002415
     4  C    0.101097
     5  O   -0.038304
     6  C    0.408485
     7  N    0.085192
     8  O   -0.233523
 Electronic spatial extent (au):  <R**2>=            985.8857
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.0622    Y=             -4.5746    Z=             -1.8858  Tot=              5.3606
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.4481   YY=            -53.0523   ZZ=            -47.8041
   XY=             -4.6144   XZ=             -3.3598   YZ=              2.2447
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6799   YY=             -2.2841   ZZ=              2.9641
   XY=             -4.6144   XZ=             -3.3598   YZ=              2.2447
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.2227  YYY=            -21.9128  ZZZ=             -6.0803  XYY=             -2.0498
  XXY=             -7.9545  XXZ=             -5.5688  XZZ=              5.1092  YZZ=             -3.7378
  YYZ=             -3.5364  XYZ=              1.2349
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -629.3851 YYYY=           -409.3115 ZZZZ=           -245.1048 XXXY=            -10.4865
 XXXZ=            -15.1388 YYYX=            -10.9011 YYYZ=             19.8914 ZZZX=             -3.4903
 ZZZY=              7.2109 XXYY=           -175.0860 XXZZ=           -143.2739 YYZZ=           -102.1740
 XXYZ=              1.2197 YYXZ=             -1.5501 ZZXY=             -7.6319
 N-N= 4.132608280726D+02 E-N=-1.765010763871D+03  KE= 3.994071257776D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:24:53 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-7.42875624D-01-1.76742091D+00-7.18479099D-01
 Polarizability= 7.60944835D+01-2.69602986D+00 7.76509700D+01
                 1.43288919D+00-1.41107153D+00 6.81616490D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.9180   -0.9176       -1.3684   -1.3668
 2      0.9180    0.9176        0.7405    0.7370        0.9527    0.9436
 3      1.3684    1.3668        3.9066    3.9125       -0.7417   -0.7370
 4     -0.7405   -0.7370       -0.0000    0.0000        1.3688    1.3668
 5     -4.8593   -4.8560       -1.3688   -1.3668       -0.9177   -0.9176
 6      0.7417    0.7370        0.9177    0.9176        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.7528    2.7528       -4.1004   -4.1004
 2     -2.2110   -2.2110        0.0000    0.0000       -4.1004   -4.1004
 3     -2.2110   -2.2110        2.7528    2.7528       -0.0000    0.0000
 4      2.7528    2.7528        2.2110    2.2110        2.8307    2.8307
 5      4.1004    4.1004       11.7374   11.7374       -2.2110   -2.2110
 6    -14.5681  -14.5681       -4.1004   -4.1004       -2.7528   -2.7528
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1723    0.0000        3.2365    3.6704        6.3597    5.4673
 2     -3.6866   -3.6704       -3.3028   -2.9480       -3.1788   -3.7742
 3     -5.8901   -5.4673      -15.5314  -15.6499        3.0271    2.9480
 4      3.1210    2.9480        0.0077    0.0000       -5.5133   -5.4673
 5     19.2564   19.4241        5.4124    5.4673        3.6767    3.6704
 6     -2.8594   -2.9480       -3.7074   -3.6704        0.2000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2444    0.0000       -2.2165   -2.3779      -12.2201  -12.5004
 2      1.8357    2.3779      -13.1619  -13.8908       -9.0371   -7.7916
 3     12.1754   12.5004        3.8692    3.6297       14.6957   13.8908
 4     14.0284   13.8908        0.1666    0.0000       12.0930   12.5004
 5      4.2950    4.1619      -12.6359  -12.5004       -1.7082   -2.3779
 6    -13.9089  -13.8908        2.2173    2.3779        0.3064    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.4893   10.1258       -8.5924   -8.7560       28.1271   27.6786
 2     28.4426   27.8770      -13.8143  -14.0165       27.6858   27.6786
 3     28.4639   27.8770       -8.4997   -8.7560       36.2373   36.6468
 4      4.4260    5.2605      -17.0410  -17.7512       -7.5881   -6.5630
 5      8.8196    8.9682       10.2243   10.2906       18.9495   17.7512
 6     -3.6881   -3.7276       -9.2918   -8.9682       -4.2994   -5.2605
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4651   -2.9788    0.0009    0.0011    0.0012   13.4907
 Low frequencies ---   65.1584  100.3754  185.6660
 Diagonal vibrational polarizability:
       18.3332205      12.2401217      17.5770428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     65.1563               100.3671               185.6656
 Red. masses --      4.0782                 3.1778                 4.3754
 Frc consts  --      0.0102                 0.0189                 0.0889
 IR Inten    --      1.4837                 1.1040                 4.3311
 RamAct Fr= 1--      0.8866                 0.5345                 0.9173
  Dep-P Fr= 1--      0.7499                 0.7473                 0.4839
  Dep-U Fr= 1--      0.8571                 0.8554                 0.6522
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0049
 Beta2  Fr= 1--      0.1267                 0.0762                 0.0997
 AlphaG Fr= 1--      0.0000                -0.0002                 0.0005
 Gamma2 Fr= 1--     -0.2784                 0.2777                 0.0550
 Delta2 Fr= 1--     -0.2423                 0.2090                 0.0321
 Raman1 Fr= 1--       3.546                  2.138                  3.669
 ROA1   Fr= 1--     -34.481                 33.348                  6.306
 CID1   Fr= 1--      -9.723                 15.598                  1.719
 Raman2 Fr= 1--       1.520                  0.914                  1.197
 ROA2   Fr= 1--      -4.744                  4.993                  1.063
 CID2   Fr= 1--      -3.121                  5.460                  0.888
 Raman3 Fr= 1--       3.040                  1.829                  2.393
 ROA3   Fr= 1--     -34.481                 33.348                  6.306
 CID3   Fr= 1--     -11.344                 18.234                  2.635
 RC180  Fr= 1--       0.714                  0.711                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.22   0.06    -0.14  -0.12  -0.08    -0.21  -0.08   0.01
     2   6    -0.00   0.00   0.01    -0.03   0.02  -0.05    -0.07  -0.03   0.03
     3   6     0.00   0.00   0.01     0.01  -0.04   0.05    -0.04   0.09   0.10
     4   6     0.01  -0.03   0.06     0.01   0.01  -0.00     0.10   0.05   0.03
     5   8     0.16  -0.08  -0.14     0.18   0.07  -0.15     0.15  -0.02  -0.07
     6   6    -0.07  -0.08  -0.18     0.08   0.10   0.04    -0.20  -0.13  -0.03
     7   7    -0.00  -0.01  -0.05     0.00  -0.05   0.15    -0.03   0.09   0.03
     8   8    -0.12  -0.02   0.25    -0.12   0.01   0.04     0.27   0.05  -0.06
     9   1     0.02   0.03   0.02     0.07  -0.12   0.02    -0.05   0.12   0.11
    10   1     0.05  -0.10   0.13    -0.05   0.11  -0.16     0.06  -0.07  -0.04
    11   1     0.17  -0.07  -0.23     0.20   0.06  -0.14     0.03  -0.01  -0.00
    12   1    -0.01  -0.00   0.10    -0.01  -0.04   0.44    -0.02   0.08  -0.12
    13   1    -0.13  -0.04  -0.14    -0.17  -0.20   0.05     0.05   0.17   0.08
    14   1    -0.05  -0.06  -0.13     0.02   0.08  -0.13    -0.19  -0.20  -0.00
    15   1    -0.09   0.02  -0.35     0.05   0.01   0.23    -0.28  -0.05  -0.09
    16   1    -0.13  -0.28  -0.22     0.24   0.27   0.06    -0.25  -0.20  -0.05
    17   1     0.04   0.18   0.08    -0.17  -0.03  -0.13    -0.23  -0.30  -0.13
    18   1     0.11   0.30   0.19    -0.26  -0.21  -0.13    -0.06   0.01   0.05
    19   1    -0.05   0.35  -0.07    -0.06  -0.24   0.02    -0.44  -0.02   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    229.7088               253.1510               260.3132
 Red. masses --      1.0680                 1.2691                 1.4055
 Frc consts  --      0.0332                 0.0479                 0.0561
 IR Inten    --      0.2579                 4.1690                 6.3164
 RamAct Fr= 1--      0.0123                 0.0944                 0.2658
  Dep-P Fr= 1--      0.7500                 0.5615                 0.4735
  Dep-U Fr= 1--      0.8571                 0.7191                 0.6427
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0015
 Beta2  Fr= 1--      0.0018                 0.0113                 0.0285
 AlphaG Fr= 1--     -0.0000                -0.0023                -0.0025
 Gamma2 Fr= 1--     -0.0075                -0.0645                -0.1237
 Delta2 Fr= 1--     -0.0050                -0.0382                 0.0015
 Raman1 Fr= 1--       0.049                  0.378                  1.063
 ROA1   Fr= 1--      -0.876                 -7.414                -11.832
 CID1   Fr= 1--     -17.776                -19.637                -11.129
 Raman2 Fr= 1--       0.021                  0.136                  0.342
 ROA2   Fr= 1--      -0.139                 -1.243                 -2.981
 CID2   Fr= 1--      -6.576                 -9.157                 -8.726
 Raman3 Fr= 1--       0.042                  0.272                  0.683
 ROA3   Fr= 1--      -0.876                 -7.414                -11.832
 CID3   Fr= 1--     -20.739                -27.307                -17.316
 RC180  Fr= 1--       0.714                  0.438                  0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.03     0.08   0.01  -0.05     0.09  -0.03  -0.05
     2   6    -0.00   0.01  -0.02     0.02   0.03  -0.04    -0.00   0.01  -0.04
     3   6     0.00  -0.00  -0.00     0.02   0.01  -0.03     0.00   0.03  -0.02
     4   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01   0.03   0.01
     5   8    -0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
     6   6     0.03   0.03   0.01    -0.06  -0.00   0.02    -0.08  -0.03  -0.02
     7   7    -0.01  -0.01   0.03    -0.04  -0.02   0.04    -0.03   0.01   0.06
     8   8    -0.01   0.01   0.01     0.02   0.01   0.01     0.05   0.03   0.03
     9   1     0.02  -0.02  -0.01     0.06  -0.03  -0.04     0.05  -0.01  -0.03
    10   1    -0.01   0.02  -0.03     0.03   0.02  -0.05     0.02  -0.00  -0.04
    11   1     0.01   0.01  -0.02    -0.01  -0.01  -0.05    -0.02  -0.01  -0.07
    12   1    -0.01  -0.00   0.13    -0.09   0.02   0.33    -0.06   0.03   0.40
    13   1    -0.07  -0.06  -0.01    -0.22  -0.19  -0.06    -0.24  -0.18  -0.07
    14   1     0.17   0.24   0.44    -0.12  -0.18  -0.18    -0.03  -0.05   0.13
    15   1     0.32   0.08  -0.39    -0.24  -0.04   0.27    -0.06   0.02  -0.14
    16   1    -0.39  -0.22  -0.02     0.12   0.18   0.05    -0.24  -0.12  -0.03
    17   1     0.01  -0.31  -0.08     0.12  -0.39  -0.07     0.10   0.35   0.10
    18   1     0.22   0.09  -0.03     0.43   0.22  -0.03    -0.24  -0.25  -0.16
    19   1    -0.23   0.06   0.02    -0.24   0.19  -0.04     0.48  -0.23  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.6595               338.2040               352.9728
 Red. masses --      1.5344                 3.8020                 2.4962
 Frc consts  --      0.0722                 0.2562                 0.1832
 IR Inten    --     13.4650                12.7816                 1.3585
 RamAct Fr= 1--      0.1055                 0.4702                 1.0775
  Dep-P Fr= 1--      0.6898                 0.2930                 0.6170
  Dep-U Fr= 1--      0.8164                 0.4533                 0.7631
 Alpha2 Fr= 1--      0.0001                 0.0049                 0.0026
 Beta2  Fr= 1--      0.0144                 0.0355                 0.1370
 AlphaG Fr= 1--      0.0030                 0.0003                -0.0003
 Gamma2 Fr= 1--      0.0741                 0.1871                -0.1927
 Delta2 Fr= 1--      0.0970                 0.2118                 0.0343
 Raman1 Fr= 1--       0.422                  1.881                  4.310
 ROA1   Fr= 1--      10.212                 24.740                -17.402
 CID1   Fr= 1--      24.194                 13.155                 -4.038
 Raman2 Fr= 1--       0.172                  0.426                  1.645
 ROA2   Fr= 1--       1.001                  2.797                 -4.900
 CID2   Fr= 1--       5.811                  6.563                 -2.980
 Raman3 Fr= 1--       0.345                  0.852                  3.289
 ROA3   Fr= 1--      10.212                 24.740                -17.402
 CID3   Fr= 1--      29.633                 29.024                 -5.291
 RC180  Fr= 1--       0.633                 -0.093                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.06    -0.04   0.05   0.00    -0.08   0.14  -0.08
     2   6     0.01  -0.03   0.04    -0.03  -0.04  -0.02     0.01   0.03  -0.09
     3   6     0.01  -0.01   0.02    -0.04   0.01  -0.05     0.08  -0.03  -0.04
     4   6     0.01   0.01   0.00    -0.05   0.03  -0.07     0.04  -0.06   0.00
     5   8    -0.04   0.01   0.04    -0.16  -0.19  -0.15     0.06   0.02   0.06
     6   6     0.04  -0.01   0.00     0.02   0.01   0.06    -0.14   0.01   0.17
     7   7     0.08   0.02  -0.12     0.22   0.11   0.16     0.09  -0.04  -0.03
     8   8     0.02   0.01  -0.03     0.05   0.05   0.05    -0.04  -0.07  -0.03
     9   1    -0.05   0.02   0.04    -0.07  -0.15  -0.10     0.15  -0.02  -0.04
    10   1     0.02  -0.03   0.04    -0.06  -0.04   0.01     0.02   0.04  -0.11
    11   1     0.11   0.01  -0.17    -0.32  -0.17  -0.37     0.12   0.01   0.09
    12   1     0.10  -0.02   0.57     0.40  -0.06   0.25     0.11  -0.06  -0.05
    13   1    -0.45  -0.16  -0.51     0.30   0.15   0.21     0.10  -0.02  -0.02
    14   1     0.03   0.02  -0.03     0.03   0.03   0.08    -0.02  -0.18   0.43
    15   1     0.05  -0.02   0.01     0.08  -0.06   0.13    -0.12  -0.02   0.20
    16   1     0.09  -0.02  -0.00     0.01   0.11   0.08    -0.45   0.17   0.22
    17   1    -0.13   0.04  -0.03    -0.05   0.07  -0.02    -0.12   0.29  -0.14
    18   1    -0.13   0.01   0.14    -0.03   0.09   0.11    -0.18   0.12   0.08
    19   1    -0.12   0.02   0.07    -0.08   0.12  -0.06    -0.05   0.17  -0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    431.8771               468.6452               542.9599
 Red. masses --      3.2835                 2.8717                 4.8056
 Frc consts  --      0.3608                 0.3716                 0.8347
 IR Inten    --      0.8990                 1.7200                 3.0389
 RamAct Fr= 1--      1.3359                 0.4104                 6.3766
  Dep-P Fr= 1--      0.6843                 0.5450                 0.0550
  Dep-U Fr= 1--      0.8126                 0.7055                 0.1043
 Alpha2 Fr= 1--      0.0015                 0.0016                 0.1245
 Beta2  Fr= 1--      0.1809                 0.0483                 0.1109
 AlphaG Fr= 1--      0.0002                 0.0000                -0.0061
 Gamma2 Fr= 1--      0.1504                -0.1992                 0.7068
 Delta2 Fr= 1--     -0.3113                 0.0169                 0.2375
 Raman1 Fr= 1--       5.343                  1.642                 25.507
 ROA1   Fr= 1--       4.478                -18.584                 75.453
 CID1   Fr= 1--       0.838                -11.320                  2.958
 Raman2 Fr= 1--       2.171                  0.579                  1.330
 ROA2   Fr= 1--       6.100                 -4.916                 15.064
 CID2   Fr= 1--       2.810                 -8.489                 11.323
 Raman3 Fr= 1--       4.342                  1.158                  2.661
 ROA3   Fr= 1--       4.478                -18.584                 75.453
 CID3   Fr= 1--       1.031                -16.044                 28.358
 RC180  Fr= 1--       0.625                  0.411                 -0.791
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.01    -0.05  -0.06   0.09     0.01   0.03  -0.07
     2   6    -0.13   0.10   0.03     0.18   0.19   0.11     0.09  -0.06  -0.05
     3   6    -0.07  -0.01   0.11     0.13   0.06  -0.05     0.02   0.19   0.09
     4   6    -0.03  -0.10   0.08     0.08  -0.02  -0.10    -0.02  -0.06   0.13
     5   8     0.06  -0.04   0.04    -0.05  -0.08  -0.01     0.06  -0.14   0.01
     6   6    -0.12   0.15  -0.09    -0.07   0.03  -0.03     0.13  -0.13   0.03
     7   7     0.17   0.08  -0.00     0.01   0.00   0.02    -0.12   0.26   0.06
     8   8    -0.04  -0.13  -0.10    -0.11  -0.03  -0.02    -0.15  -0.10  -0.18
     9   1    -0.00   0.04   0.12     0.04  -0.01  -0.07     0.11   0.37   0.14
    10   1    -0.16   0.13   0.02     0.21   0.17   0.10     0.22  -0.10  -0.13
    11   1     0.14  -0.04  -0.03    -0.10  -0.07  -0.09    -0.11  -0.12  -0.09
    12   1     0.34  -0.09   0.12    -0.07   0.07  -0.02    -0.16   0.30   0.19
    13   1     0.02   0.26  -0.16     0.06  -0.09   0.08    -0.14   0.13   0.08
    14   1    -0.16   0.17  -0.17    -0.05  -0.21  -0.05     0.15  -0.08   0.09
    15   1    -0.17   0.20  -0.13    -0.33   0.25  -0.17     0.21  -0.19   0.06
    16   1    -0.04   0.05  -0.11    -0.13  -0.19  -0.07     0.10  -0.05   0.05
    17   1     0.19  -0.21   0.22    -0.15  -0.13  -0.20    -0.02   0.15  -0.13
    18   1     0.23  -0.04  -0.29    -0.16  -0.16  -0.03    -0.05   0.04   0.12
    19   1     0.17  -0.11   0.02    -0.15  -0.24   0.43    -0.00   0.10  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    657.7769               742.1711               804.2921
 Red. masses --      4.7487                 4.4488                 2.4578
 Frc consts  --      1.2105                 1.4438                 0.9367
 IR Inten    --      8.8674                10.0187                30.6583
 RamAct Fr= 1--      1.5380                 8.1000                 6.5789
  Dep-P Fr= 1--      0.7491                 0.0376                 0.0628
  Dep-U Fr= 1--      0.8566                 0.0725                 0.1182
 Alpha2 Fr= 1--      0.0000                 0.1648                 0.1260
 Beta2  Fr= 1--      0.2196                 0.0978                 0.1296
 AlphaG Fr= 1--     -0.0001                -0.0053                -0.1084
 Gamma2 Fr= 1--     -1.1835                -1.4621                 0.2141
 Delta2 Fr= 1--     -0.0386                -0.1209                -0.0485
 Raman1 Fr= 1--       6.152                 32.400                 26.316
 ROA1   Fr= 1--    -114.851               -144.235                 19.007
 CID1   Fr= 1--     -18.669                 -4.452                  0.722
 Raman2 Fr= 1--       2.635                  1.174                  1.556
 ROA2   Fr= 1--     -28.095                -34.124                  5.527
 CID2   Fr= 1--     -10.663                -29.072                  3.553
 Raman3 Fr= 1--       5.270                  2.348                  3.111
 ROA3   Fr= 1--    -114.851               -144.235                 19.007
 CID3   Fr= 1--     -21.795                -61.440                  6.109
 RC180  Fr= 1--       0.713                 -0.855                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.06    -0.04  -0.04   0.08     0.01  -0.04   0.14
     2   6     0.07   0.04  -0.02    -0.19  -0.11  -0.02    -0.00  -0.04  -0.06
     3   6     0.09  -0.03   0.27     0.09   0.04  -0.03     0.06  -0.00  -0.17
     4   6    -0.10   0.16   0.22     0.30   0.13  -0.10    -0.13   0.02   0.18
     5   8    -0.04  -0.12  -0.09     0.06  -0.15   0.13     0.06  -0.01  -0.03
     6   6    -0.01   0.02   0.00    -0.07   0.04  -0.02    -0.05   0.07  -0.03
     7   7     0.04  -0.23  -0.05    -0.00  -0.04  -0.01    -0.02   0.00  -0.07
     8   8    -0.03   0.17  -0.12    -0.15   0.13  -0.05     0.02   0.02  -0.05
     9   1     0.27   0.03   0.28     0.02  -0.03  -0.05     0.28   0.16  -0.13
    10   1     0.07   0.07  -0.07    -0.07  -0.14  -0.09    -0.08  -0.04   0.04
    11   1    -0.26  -0.09  -0.31    -0.17  -0.10  -0.19    -0.28  -0.01   0.21
    12   1    -0.14  -0.06  -0.43    -0.08   0.04  -0.07     0.09  -0.09   0.36
    13   1    -0.13   0.03  -0.25     0.08  -0.14   0.07     0.34  -0.36   0.31
    14   1     0.03  -0.14   0.07    -0.12   0.41  -0.05    -0.04   0.10  -0.02
    15   1    -0.11   0.08  -0.01     0.23  -0.15   0.03    -0.01   0.03   0.01
    16   1    -0.11   0.01   0.01     0.07   0.15  -0.01    -0.05   0.13  -0.01
    17   1     0.03   0.02  -0.04     0.08  -0.02   0.42    -0.03  -0.00   0.06
    18   1     0.03   0.02  -0.09     0.11   0.05   0.09    -0.04  -0.05   0.26
    19   1     0.04   0.01  -0.05     0.10   0.08  -0.21    -0.05  -0.02   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    844.1253               867.5843               920.4063
 Red. masses --      2.0377                 1.1752                 1.8060
 Frc consts  --      0.8555                 0.5212                 0.9014
 IR Inten    --     15.7014                73.4120                74.4035
 RamAct Fr= 1--      2.4064                 1.2303                 0.8899
  Dep-P Fr= 1--      0.7481                 0.1357                 0.2246
  Dep-U Fr= 1--      0.8559                 0.2389                 0.3668
 Alpha2 Fr= 1--      0.0001                 0.0197                 0.0113
 Beta2  Fr= 1--      0.3433                 0.0490                 0.0544
 AlphaG Fr= 1--      0.0000                 0.0806                -0.0242
 Gamma2 Fr= 1--      0.9086                 0.0906                -0.3070
 Delta2 Fr= 1--      0.3446                 0.1347                -0.0306
 Raman1 Fr= 1--       9.626                  4.921                  3.559
 ROA1   Fr= 1--      98.259                 13.003                -30.455
 CID1   Fr= 1--      10.208                  2.642                 -8.556
 Raman2 Fr= 1--       4.119                  0.588                  0.653
 ROA2   Fr= 1--      19.050                  1.096                 -7.124
 CID2   Fr= 1--       4.625                  1.864                -10.912
 Raman3 Fr= 1--       8.239                  1.176                  1.306
 ROA3   Fr= 1--      98.259                 13.003                -30.455
 CID3   Fr= 1--      11.926                 11.060                -23.325
 RC180  Fr= 1--       0.712                 -0.522                 -0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.10    -0.01   0.00  -0.02    -0.02  -0.05   0.01
     2   6    -0.03  -0.05  -0.05    -0.01   0.00   0.01     0.03  -0.03  -0.01
     3   6     0.13   0.10   0.01     0.03   0.00   0.06     0.07  -0.03   0.15
     4   6    -0.05  -0.07  -0.02     0.03  -0.01  -0.05     0.04  -0.03  -0.05
     5   8    -0.07   0.05  -0.07     0.00   0.01  -0.05    -0.08   0.04  -0.04
     6   6    -0.05   0.04  -0.03    -0.00  -0.00   0.00    -0.01   0.06  -0.01
     7   7     0.06  -0.01   0.07     0.03   0.01  -0.03    -0.08   0.03  -0.08
     8   8     0.03  -0.07   0.02    -0.01  -0.01   0.02     0.01  -0.03   0.02
     9   1     0.25   0.10   0.01    -0.02   0.03   0.08    -0.01   0.10   0.19
    10   1     0.13  -0.09  -0.14     0.04   0.01  -0.04     0.13   0.09  -0.28
    11   1     0.18   0.03  -0.02    -0.64  -0.01   0.72     0.14   0.04  -0.23
    12   1    -0.37   0.38  -0.36    -0.00   0.03   0.13     0.20  -0.21   0.31
    13   1    -0.31  -0.03  -0.25    -0.09  -0.03  -0.11     0.37  -0.06   0.34
    14   1    -0.05   0.20   0.01    -0.01   0.01  -0.01     0.00  -0.07   0.00
    15   1     0.12  -0.09   0.04     0.00   0.00  -0.01    -0.11   0.13  -0.04
    16   1    -0.03   0.19  -0.00     0.01  -0.02  -0.00    -0.08   0.01  -0.02
    17   1     0.02   0.03   0.21     0.03  -0.01   0.06     0.05   0.09   0.22
    18   1     0.03   0.00   0.22     0.02   0.01  -0.03     0.09   0.06   0.23
    19   1     0.03   0.05  -0.06     0.02   0.02  -0.07     0.05   0.13  -0.30
                     19                     20                     21
                      A                      A                      A
 Frequencies --    940.1008               951.7660               976.8342
 Red. masses --      1.5866                 1.5169                 1.4812
 Frc consts  --      0.8262                 0.8096                 0.8327
 IR Inten    --     28.3909                 0.8385                 2.2908
 RamAct Fr= 1--      3.5852                 2.4253                 2.8405
  Dep-P Fr= 1--      0.4788                 0.7164                 0.7486
  Dep-U Fr= 1--      0.6476                 0.8348                 0.8562
 Alpha2 Fr= 1--      0.0195                 0.0014                 0.0001
 Beta2  Fr= 1--      0.3869                 0.3374                 0.4053
 AlphaG Fr= 1--     -0.0147                 0.0068                -0.0007
 Gamma2 Fr= 1--     -1.1097                 0.6506                 0.3915
 Delta2 Fr= 1--     -0.9577                 0.3733                 0.4139
 Raman1 Fr= 1--      14.341                  9.701                 11.362
 ROA1   Fr= 1--    -137.174                 74.404                 50.828
 CID1   Fr= 1--      -9.565                  7.670                  4.474
 Raman2 Fr= 1--       4.643                  4.049                  4.864
 ROA2   Fr= 1--     -18.970                 12.628                  6.085
 CID2   Fr= 1--      -4.085                  3.119                  1.251
 Raman3 Fr= 1--       9.287                  8.098                  9.728
 ROA3   Fr= 1--    -137.174                 74.404                 50.828
 CID3   Fr= 1--     -14.771                  9.188                  5.225
 RC180  Fr= 1--       0.295                  0.670                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.03     0.02   0.02   0.09    -0.09  -0.00   0.07
     2   6     0.08  -0.05  -0.05     0.06  -0.01  -0.09    -0.05   0.07  -0.05
     3   6    -0.10  -0.04  -0.02    -0.05  -0.05   0.06     0.00  -0.01  -0.04
     4   6     0.01   0.02  -0.01     0.03   0.01  -0.03    -0.02   0.00   0.01
     5   8     0.04  -0.03   0.04     0.00  -0.01   0.01     0.01  -0.01   0.01
     6   6     0.00   0.09  -0.01    -0.01   0.02  -0.11     0.12  -0.05  -0.01
     7   7     0.00   0.02   0.04    -0.03   0.03  -0.00     0.01   0.01   0.01
     8   8    -0.01   0.03  -0.00    -0.01   0.01   0.01     0.00   0.01  -0.00
     9   1    -0.13  -0.15  -0.06    -0.05  -0.10   0.04     0.03  -0.02  -0.05
    10   1    -0.08   0.14  -0.21     0.16  -0.19   0.10    -0.18   0.24  -0.20
    11   1    -0.07  -0.02   0.10    -0.04  -0.00   0.03    -0.00  -0.01   0.02
    12   1    -0.02   0.03  -0.14     0.09  -0.09   0.02    -0.05   0.07  -0.05
    13   1    -0.22   0.22  -0.19    -0.06   0.19  -0.05    -0.04  -0.01  -0.04
    14   1     0.01  -0.17  -0.04     0.14  -0.12   0.25     0.19  -0.51   0.10
    15   1    -0.24   0.27  -0.09     0.10  -0.23   0.24    -0.20   0.09   0.04
    16   1    -0.10  -0.07  -0.03    -0.32   0.58   0.02    -0.17  -0.07   0.00
    17   1    -0.04   0.20  -0.11    -0.01  -0.11  -0.03     0.10  -0.12   0.54
    18   1    -0.03   0.00   0.58    -0.04  -0.06  -0.10     0.16   0.08  -0.19
    19   1    -0.10   0.18  -0.22     0.01  -0.14   0.32     0.16  -0.01  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1079.1748              1094.5876              1127.2108
 Red. masses --      3.3100                 1.6390                 1.5110
 Frc consts  --      2.2713                 1.1570                 1.1312
 IR Inten    --      8.9736                11.4462                 1.7731
 RamAct Fr= 1--      1.9693                 5.4796                 1.2469
  Dep-P Fr= 1--      0.4271                 0.6806                 0.7111
  Dep-U Fr= 1--      0.5986                 0.8100                 0.8312
 Alpha2 Fr= 1--      0.0132                 0.0067                 0.0008
 Beta2  Fr= 1--      0.1965                 0.7397                 0.1727
 AlphaG Fr= 1--      0.0000                -0.0098                -0.0031
 Gamma2 Fr= 1--     -1.0110                -1.3069                 1.0005
 Delta2 Fr= 1--     -0.1510                -1.7996                 0.7324
 Raman1 Fr= 1--       7.877                 21.919                  4.988
 ROA1   Fr= 1--    -101.891               -183.050                119.485
 CID1   Fr= 1--     -12.935                 -8.351                 23.957
 Raman2 Fr= 1--       2.357                  8.877                  2.073
 ROA2   Fr= 1--     -23.057                -16.968                 18.152
 CID2   Fr= 1--      -9.780                 -1.912                  8.758
 Raman3 Fr= 1--       4.715                 17.754                  4.146
 ROA3   Fr= 1--    -101.891               -183.050                119.485
 CID3   Fr= 1--     -21.611                -10.311                 28.823
 RC180  Fr= 1--       0.197                  0.620                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.06     0.05   0.01   0.07    -0.07  -0.02   0.01
     2   6     0.01   0.11  -0.08    -0.08   0.07  -0.11     0.09   0.09  -0.01
     3   6    -0.20   0.28  -0.01     0.03  -0.06   0.03     0.02  -0.06  -0.04
     4   6     0.05  -0.02  -0.00     0.08  -0.00   0.01    -0.07   0.01   0.01
     5   8    -0.01   0.03   0.00    -0.04   0.02  -0.03     0.03  -0.02   0.01
     6   6     0.02  -0.08  -0.01     0.01  -0.06   0.06    -0.07  -0.05   0.03
     7   7     0.05  -0.21   0.01    -0.05   0.03  -0.00    -0.03   0.02   0.01
     8   8    -0.01  -0.04   0.00    -0.00  -0.01   0.01     0.01   0.02  -0.01
     9   1    -0.11   0.40   0.03     0.61  -0.08  -0.04    -0.07  -0.29  -0.11
    10   1     0.24   0.12  -0.31    -0.26   0.14  -0.05     0.43   0.03  -0.25
    11   1    -0.07   0.02  -0.01    -0.09   0.02  -0.06     0.04  -0.02   0.08
    12   1     0.29  -0.44   0.10     0.18  -0.18  -0.01     0.15  -0.15   0.00
    13   1     0.13  -0.05   0.03    -0.10   0.36  -0.10    -0.09   0.28  -0.09
    14   1     0.03   0.05   0.03    -0.06   0.05  -0.10    -0.12   0.36  -0.04
    15   1     0.17  -0.18   0.03     0.07  -0.03  -0.08     0.23  -0.17  -0.05
    16   1     0.08   0.03   0.01     0.17  -0.25   0.01     0.22  -0.02   0.02
    17   1    -0.02   0.09  -0.01    -0.04   0.01  -0.18     0.05   0.00   0.32
    18   1    -0.01  -0.01   0.24    -0.10  -0.07   0.13     0.13   0.08  -0.04
    19   1    -0.04   0.05   0.00    -0.09  -0.03   0.24     0.11   0.02  -0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1190.8111              1210.6104              1250.3467
 Red. masses --      2.3767                 1.9921                 1.5617
 Frc consts  --      1.9857                 1.7202                 1.4385
 IR Inten    --     26.6574                 2.2117                 3.8816
 RamAct Fr= 1--      4.1885                 4.1464                 3.3565
  Dep-P Fr= 1--      0.6910                 0.3900                 0.5712
  Dep-U Fr= 1--      0.8173                 0.5612                 0.7271
 Alpha2 Fr= 1--      0.0043                 0.0318                 0.0113
 Beta2  Fr= 1--      0.5705                 0.3878                 0.4067
 AlphaG Fr= 1--     -0.0031                 0.0040                 0.0110
 Gamma2 Fr= 1--      2.0728                 0.3023                -2.1930
 Delta2 Fr= 1--      2.0493                 0.3440                -1.2626
 Raman1 Fr= 1--      16.754                 16.585                 13.426
 ROA1   Fr= 1--     264.566                 40.025               -250.932
 CID1   Fr= 1--      15.791                  2.413                -18.690
 Raman2 Fr= 1--       6.846                  4.654                  4.881
 ROA2   Fr= 1--      33.352                  4.502                -42.532
 CID2   Fr= 1--       4.871                  0.967                 -8.714
 Raman3 Fr= 1--      13.693                  9.307                  9.762
 ROA3   Fr= 1--     264.566                 40.025               -250.932
 CID3   Fr= 1--      19.321                  4.300                -25.705
 RC180  Fr= 1--       0.635                  0.122                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.02  -0.03     0.02  -0.11  -0.06    -0.02  -0.03  -0.03
     2   6     0.09  -0.10   0.05    -0.05   0.15   0.14    -0.03  -0.03   0.08
     3   6    -0.04   0.02  -0.10     0.03  -0.04  -0.04     0.04   0.08  -0.01
     4   6     0.16   0.00   0.15     0.04   0.00   0.07    -0.10  -0.01  -0.10
     5   8    -0.06   0.08  -0.06    -0.02   0.03  -0.02     0.03  -0.05   0.02
     6   6    -0.00   0.07   0.01     0.00  -0.08  -0.10     0.04   0.03  -0.02
     7   7    -0.04  -0.02   0.04     0.00   0.02  -0.00    -0.04  -0.03   0.02
     8   8    -0.01  -0.07  -0.00     0.00  -0.02  -0.00     0.00   0.04   0.00
     9   1     0.17   0.06  -0.10     0.06  -0.09  -0.05     0.54   0.14  -0.04
    10   1     0.09  -0.24   0.27    -0.20   0.17   0.25     0.09  -0.23   0.28
    11   1    -0.37   0.09  -0.26    -0.15   0.03  -0.11     0.25  -0.07   0.24
    12   1     0.19  -0.24  -0.08    -0.02   0.03  -0.03     0.27  -0.32   0.07
    13   1    -0.18   0.30  -0.15    -0.01   0.02  -0.02    -0.09   0.31  -0.08
    14   1    -0.02  -0.02  -0.04     0.12  -0.02   0.23     0.07  -0.12   0.04
    15   1    -0.12   0.17  -0.05     0.14  -0.32   0.21    -0.12   0.08   0.06
    16   1    -0.04  -0.01  -0.00    -0.10   0.33  -0.01    -0.12   0.03  -0.01
    17   1     0.04  -0.10   0.27    -0.02   0.25  -0.05    -0.01   0.04   0.01
    18   1     0.09   0.07  -0.23     0.04   0.02   0.36     0.03   0.02   0.01
    19   1     0.13  -0.03  -0.14    -0.12   0.19  -0.36     0.00   0.05  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1304.1075              1344.0115              1372.9483
 Red. masses --      1.6053                 1.2774                 1.4136
 Frc consts  --      1.6086                 1.3596                 1.5699
 IR Inten    --      7.6546                12.1445                 8.7819
 RamAct Fr= 1--      3.5376                 4.1098                 2.9204
  Dep-P Fr= 1--      0.6117                 0.4866                 0.4910
  Dep-U Fr= 1--      0.7591                 0.6547                 0.6586
 Alpha2 Fr= 1--      0.0090                 0.0216                 0.0150
 Beta2  Fr= 1--      0.4476                 0.4484                 0.3206
 AlphaG Fr= 1--     -0.0233                -0.0431                -0.0043
 Gamma2 Fr= 1--      0.4116                -0.1768                 1.6970
 Delta2 Fr= 1--      0.9628                 0.0360                -0.6618
 Raman1 Fr= 1--      14.151                 16.439                 11.682
 ROA1   Fr= 1--      70.322                -15.823                141.731
 CID1   Fr= 1--       4.970                 -0.963                 12.133
 Raman2 Fr= 1--       5.371                  5.381                  3.847
 ROA2   Fr= 1--       2.176                 -4.532                 46.022
 CID2   Fr= 1--       0.405                 -0.842                 11.963
 Raman3 Fr= 1--      10.741                 10.762                  7.694
 ROA3   Fr= 1--      70.322                -15.823                141.731
 CID3   Fr= 1--       6.547                 -1.470                 18.421
 RC180  Fr= 1--       0.518                  0.309                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.00     0.02   0.03  -0.00    -0.01   0.04   0.01
     2   6     0.13   0.03  -0.04     0.01  -0.05   0.05     0.06  -0.09   0.10
     3   6    -0.12  -0.09   0.02     0.08  -0.05  -0.06    -0.06   0.06   0.02
     4   6     0.01  -0.00  -0.06    -0.00  -0.00   0.01    -0.02   0.00  -0.02
     5   8    -0.00  -0.01   0.01    -0.01  -0.01  -0.01     0.02   0.01   0.02
     6   6    -0.05  -0.02   0.01    -0.02  -0.02  -0.03    -0.03  -0.02  -0.04
     7   7     0.04   0.02   0.00    -0.03  -0.01   0.05     0.00   0.00  -0.03
     8   8    -0.01   0.03   0.01    -0.00   0.02  -0.00     0.00  -0.02   0.01
     9   1     0.43   0.56   0.19    -0.30   0.58   0.19     0.46  -0.38  -0.17
    10   1    -0.27   0.05   0.31    -0.26   0.36  -0.32    -0.24   0.44  -0.42
    11   1     0.08  -0.02   0.04     0.09  -0.02   0.09    -0.10   0.02  -0.08
    12   1    -0.14   0.18  -0.02     0.15  -0.18  -0.00    -0.04   0.05   0.02
    13   1     0.04  -0.21   0.05    -0.13   0.23  -0.09     0.06  -0.06   0.03
    14   1    -0.05   0.13   0.00    -0.01   0.12   0.03     0.02   0.14   0.11
    15   1     0.11  -0.06  -0.06    -0.00  -0.06   0.03    -0.04  -0.06   0.05
    16   1     0.13   0.03   0.01    -0.04   0.12   0.00    -0.00   0.15  -0.01
    17   1     0.00   0.00   0.15     0.01  -0.07  -0.05    -0.03  -0.09  -0.13
    18   1     0.12   0.08  -0.01    -0.06  -0.02  -0.04     0.01   0.01  -0.19
    19   1     0.10  -0.01  -0.14     0.01  -0.03   0.09     0.11  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1381.2699              1411.7578              1413.6579
 Red. masses --      1.3360                 1.4691                 1.3259
 Frc consts  --      1.5019                 1.7252                 1.5611
 IR Inten    --     54.1259               185.1708               124.5755
 RamAct Fr= 1--      3.7047                 2.1632                 0.9035
  Dep-P Fr= 1--      0.7047                 0.2111                 0.1758
  Dep-U Fr= 1--      0.8268                 0.3486                 0.2990
 Alpha2 Fr= 1--      0.0029                 0.0285                 0.0131
 Beta2  Fr= 1--      0.5105                 0.1257                 0.0450
 AlphaG Fr= 1--     -0.0069                 0.0186                 0.0134
 Gamma2 Fr= 1--      0.7038                -0.7871                -0.2544
 Delta2 Fr= 1--     -0.2931                -0.6432                -0.2796
 Raman1 Fr= 1--      14.819                  8.653                  3.614
 ROA1   Fr= 1--      58.186                -96.144                -33.371
 CID1   Fr= 1--       3.926                -11.111                 -9.234
 Raman2 Fr= 1--       6.126                  1.508                  0.540
 ROA2   Fr= 1--      19.236                -13.744                 -3.869
 CID2   Fr= 1--       3.140                 -9.114                 -7.162
 Raman3 Fr= 1--      12.252                  3.016                  1.081
 ROA3   Fr= 1--      58.186                -96.144                -33.371
 CID3   Fr= 1--       4.749                -31.878                -30.884
 RC180  Fr= 1--       0.654                 -0.303                 -0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01     0.01  -0.01   0.07    -0.01  -0.03   0.07
     2   6    -0.07   0.02   0.07    -0.02   0.01   0.02     0.00   0.02  -0.04
     3   6    -0.05  -0.10  -0.03    -0.05  -0.03  -0.02     0.04   0.01   0.02
     4   6    -0.01  -0.00  -0.03     0.09  -0.01   0.08    -0.05   0.01  -0.04
     5   8     0.02   0.02   0.02    -0.06  -0.02  -0.06     0.04   0.01   0.03
     6   6     0.02   0.02  -0.01     0.03  -0.03   0.01     0.05  -0.08   0.03
     7   7     0.02   0.02   0.01     0.01   0.02  -0.00    -0.01  -0.01   0.00
     8   8     0.01  -0.00   0.01    -0.02   0.04  -0.02     0.01  -0.03   0.01
     9   1     0.28   0.34   0.09     0.07  -0.05  -0.04    -0.12   0.05   0.05
    10   1     0.60  -0.12  -0.39     0.20  -0.04  -0.13    -0.10  -0.05   0.17
    11   1    -0.29   0.06  -0.26     0.51  -0.11   0.46    -0.31   0.07  -0.27
    12   1    -0.06   0.08  -0.07    -0.01   0.03  -0.01     0.01  -0.02   0.01
    13   1    -0.03  -0.10  -0.01     0.01  -0.12   0.02    -0.01   0.06  -0.01
    14   1     0.04  -0.09   0.03    -0.02   0.13  -0.06    -0.07   0.36  -0.17
    15   1    -0.04   0.00   0.09    -0.14   0.11  -0.05    -0.28   0.23  -0.17
    16   1    -0.05  -0.09  -0.02    -0.12   0.12   0.04    -0.20   0.29   0.10
    17   1    -0.02   0.01  -0.12    -0.12   0.08  -0.27    -0.13   0.08  -0.26
    18   1    -0.05  -0.05  -0.08     0.04  -0.08  -0.33     0.11  -0.03  -0.26
    19   1    -0.04   0.06  -0.01     0.00   0.20  -0.24     0.07   0.15  -0.27
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1434.4863              1490.7957              1494.9096
 Red. masses --      1.2343                 1.0395                 1.0530
 Frc consts  --      1.4965                 1.3611                 1.3865
 IR Inten    --     11.8249                 0.3869                 3.5180
 RamAct Fr= 1--      0.8997                 9.3687                 0.6619
  Dep-P Fr= 1--      0.3619                 0.7498                 0.6508
  Dep-U Fr= 1--      0.5314                 0.8570                 0.7885
 Alpha2 Fr= 1--      0.0076                 0.0000                 0.0012
 Beta2  Fr= 1--      0.0797                 1.3382                 0.0870
 AlphaG Fr= 1--      0.0013                 0.0005                -0.0050
 Gamma2 Fr= 1--     -0.0331                 0.2123                -0.5665
 Delta2 Fr= 1--      0.0053                 0.2064                -0.2023
 Raman1 Fr= 1--       3.599                 37.475                  2.648
 ROA1   Fr= 1--      -3.005                 26.986                -60.856
 CID1   Fr= 1--      -0.835                  0.720                -22.986
 Raman2 Fr= 1--       0.956                 16.058                  1.044
 ROA2   Fr= 1--      -0.835                  3.444                -11.978
 CID2   Fr= 1--      -0.873                  0.214                -11.475
 Raman3 Fr= 1--       1.912                 32.117                  2.088
 ROA3   Fr= 1--      -3.005                 26.986                -60.856
 CID3   Fr= 1--      -1.571                  0.840                -29.152
 RC180  Fr= 1--       0.063                  0.714                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.09     0.03   0.02   0.01    -0.03   0.01   0.01
     2   6    -0.01   0.01   0.02    -0.00   0.00  -0.01    -0.01   0.01  -0.03
     3   6    -0.03  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
     5   8    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.06  -0.08   0.01    -0.03  -0.02  -0.01     0.01   0.00  -0.04
     7   7     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.12  -0.02  -0.01    -0.01   0.01   0.00    -0.06   0.01   0.01
    10   1     0.11  -0.02  -0.07     0.02  -0.05   0.05     0.03  -0.06   0.05
    11   1     0.08  -0.01   0.06    -0.00   0.00  -0.02     0.02  -0.00   0.02
    12   1    -0.03   0.04  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   1     0.02  -0.06   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
    14   1    -0.04   0.39  -0.10     0.15  -0.04   0.42     0.12   0.33   0.35
    15   1    -0.35   0.22  -0.10    -0.16   0.20  -0.24    -0.38  -0.01   0.39
    16   1    -0.22   0.28   0.09     0.49   0.20   0.01     0.13  -0.31  -0.09
    17   1     0.16  -0.05   0.35     0.09  -0.27   0.12    -0.07  -0.20  -0.21
    18   1    -0.11   0.05   0.36    -0.38  -0.23  -0.04     0.09   0.12   0.20
    19   1    -0.12  -0.20   0.33    -0.13   0.22  -0.17     0.37  -0.15  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.6131              1513.9948              1656.1238
 Red. masses --      1.0446                 1.0564                 1.0912
 Frc consts  --      1.3988                 1.4266                 1.7634
 IR Inten    --      9.4583                12.4635                47.2885
 RamAct Fr= 1--      7.4321                 1.1635                 2.9280
  Dep-P Fr= 1--      0.7490                 0.7352                 0.5842
  Dep-U Fr= 1--      0.8565                 0.8474                 0.7375
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0091
 Beta2  Fr= 1--      1.0610                 0.1643                 0.3599
 AlphaG Fr= 1--      0.0004                 0.0000                -0.0185
 Gamma2 Fr= 1--      1.7414                 0.0761                -0.6547
 Delta2 Fr= 1--      0.1022                 0.0927                -0.2955
 Raman1 Fr= 1--      29.729                  4.654                 11.712
 ROA1   Fr= 1--     170.445                 10.268                -72.305
 CID1   Fr= 1--       5.733                  2.206                 -6.174
 Raman2 Fr= 1--      12.731                  1.972                  4.319
 ROA2   Fr= 1--      40.976                  1.084                -13.349
 CID2   Fr= 1--       3.218                  0.550                 -3.091
 Raman3 Fr= 1--      25.463                  3.944                  8.638
 ROA3   Fr= 1--     170.445                 10.268                -72.305
 CID3   Fr= 1--       6.694                  2.604                 -8.371
 RC180  Fr= 1--       0.713                  0.695                  0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.00     0.03   0.00   0.01     0.00  -0.00   0.00
     2   6     0.00  -0.03  -0.02     0.04   0.00  -0.02    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.01   0.00   0.01    -0.01  -0.01  -0.02
     4   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.02   0.01   0.01     0.00  -0.01  -0.00     0.01   0.05  -0.01
    10   1    -0.02  -0.01  -0.03    -0.08   0.03   0.06     0.03  -0.02  -0.02
    11   1    -0.02   0.00  -0.01    -0.01   0.00  -0.02     0.03  -0.00   0.01
    12   1     0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.41   0.36   0.44
    13   1    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.25   0.65   0.06
    14   1     0.10   0.11   0.30    -0.05   0.25  -0.11     0.00  -0.01   0.01
    15   1    -0.21   0.06   0.08    -0.08  -0.17   0.41    -0.01   0.01  -0.00
    16   1     0.24  -0.08  -0.04    -0.28  -0.34  -0.06     0.00   0.00   0.00
    17   1    -0.02   0.59   0.13     0.12  -0.08   0.25    -0.00   0.02   0.00
    18   1     0.30   0.08  -0.29    -0.35  -0.26  -0.19     0.00  -0.00  -0.02
    19   1    -0.37  -0.00   0.28    -0.33   0.28  -0.11    -0.02   0.01   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1834.5192              2985.8625              3036.3373
 Red. masses --      9.3980                 1.0830                 1.0362
 Frc consts  --     18.6350                 5.6890                 5.6286
 IR Inten    --    283.5996                33.5231                20.4500
 RamAct Fr= 1--      9.6625               119.1304                10.6880
  Dep-P Fr= 1--      0.2703                 0.3183                 0.1676
  Dep-U Fr= 1--      0.4255                 0.4828                 0.2871
 Alpha2 Fr= 1--      0.1081                 1.1560                 0.1580
 Beta2  Fr= 1--      0.6853                 9.5869                 0.5114
 AlphaG Fr= 1--      0.0076                 0.7946                 0.0693
 Gamma2 Fr= 1--      1.0546                 5.3544                -1.2253
 Delta2 Fr= 1--     -0.2955                -1.6851                -1.2459
 Raman1 Fr= 1--      38.650                476.521                 42.752
 ROA1   Fr= 1--      91.786                460.098               -157.499
 CID1   Fr= 1--       2.375                  0.966                 -3.684
 Raman2 Fr= 1--       8.224                115.043                  6.137
 ROA2   Fr= 1--      27.675                141.986                -19.441
 CID2   Fr= 1--       3.365                  1.234                 -3.168
 Raman3 Fr= 1--      16.447                230.086                 12.275
 ROA3   Fr= 1--      91.786                460.098               -157.499
 CID3   Fr= 1--       5.581                  2.000                -12.831
 RC180  Fr= 1--      -0.149                 -0.034                 -0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01   0.00     0.00  -0.00   0.04
     2   6    -0.01   0.01   0.01    -0.04  -0.06  -0.04     0.00   0.00   0.00
     3   6    -0.01  -0.05  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     4   6    -0.04   0.70  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.06  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.01
     7   7     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8     0.02  -0.43   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.07   0.15   0.03    -0.01   0.02  -0.06     0.01  -0.05   0.14
    10   1     0.07  -0.01  -0.04     0.47   0.73   0.47    -0.01  -0.02  -0.01
    11   1     0.38  -0.02   0.34     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.01   0.03    -0.00   0.01   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.06  -0.02    -0.04  -0.00   0.02    -0.36  -0.04   0.14
    15   1     0.07  -0.02  -0.03    -0.02  -0.04  -0.02     0.12   0.21   0.12
    16   1     0.00   0.01   0.00     0.00   0.01  -0.05    -0.01   0.06  -0.37
    17   1    -0.00  -0.01  -0.01    -0.03   0.00   0.01     0.41   0.05  -0.14
    18   1    -0.03  -0.01   0.01     0.02  -0.03   0.00    -0.22   0.36  -0.07
    19   1    -0.01   0.02  -0.01    -0.03  -0.06  -0.04    -0.21  -0.36  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.7537              3041.4443              3095.7370
 Red. masses --      1.0630                 1.0560                 1.1021
 Frc consts  --      5.7796                 5.7552                 6.2228
 IR Inten    --     19.0056                21.1253                23.0286
 RamAct Fr= 1--     55.4571               362.8498                60.5173
  Dep-P Fr= 1--      0.1606                 0.0218                 0.7466
  Dep-U Fr= 1--      0.2767                 0.0427                 0.8549
 Alpha2 Fr= 1--      0.8346                 7.6613                 0.0035
 Beta2  Fr= 1--      2.5573                 2.5842                 8.6230
 AlphaG Fr= 1--     -0.2982                 0.7952                -0.0222
 Gamma2 Fr= 1--      0.4626                 2.9660                 0.5335
 Delta2 Fr= 1--      2.5699                 0.8747                 3.6026
 Raman1 Fr= 1--     221.828               1451.399                242.069
 ROA1   Fr= 1--     126.650                312.727                166.503
 CID1   Fr= 1--       0.571                  0.215                  0.688
 Raman2 Fr= 1--      30.688                 31.011                103.476
 ROA2   Fr= 1--      -9.456                 64.186                -16.017
 CID2   Fr= 1--      -0.308                  2.070                 -0.155
 Raman3 Fr= 1--      61.376                 62.021                206.951
 ROA3   Fr= 1--     126.650                312.727                166.503
 CID3   Fr= 1--       2.063                  5.042                  0.805
 RC180  Fr= 1--      -0.447                 -0.915                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.02  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.01   0.02  -0.06    -0.00   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.01  -0.01   0.01    -0.02   0.02  -0.01     0.05   0.01  -0.07
     7   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.06  -0.24   0.70     0.05  -0.20   0.59     0.00  -0.01   0.04
    10   1     0.02   0.03   0.02     0.03   0.05   0.03     0.01   0.01   0.01
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
    14   1    -0.24  -0.02   0.10     0.40   0.04  -0.16    -0.64  -0.06   0.23
    15   1     0.09   0.14   0.08    -0.14  -0.23  -0.13     0.01   0.00  -0.02
    16   1    -0.01   0.05  -0.31     0.02  -0.07   0.40     0.04  -0.12   0.68
    17   1    -0.26  -0.03   0.09     0.18   0.02  -0.06     0.18   0.02  -0.06
    18   1     0.14  -0.23   0.05    -0.11   0.19  -0.04     0.03  -0.06   0.01
    19   1     0.13   0.23   0.15    -0.11  -0.20  -0.13     0.05   0.09   0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3100.1793              3102.5399              3121.1505
 Red. masses --      1.1018                 1.1017                 1.1004
 Frc consts  --      6.2391                 6.2482                 6.3157
 IR Inten    --     25.0747                28.2507                13.4000
 RamAct Fr= 1--     61.2618                71.5446                37.2726
  Dep-P Fr= 1--      0.5677                 0.7450                 0.7459
  Dep-U Fr= 1--      0.7242                 0.8539                 0.8545
 Alpha2 Fr= 1--      0.2111                 0.0060                 0.0026
 Beta2  Fr= 1--      7.3947                10.1818                 5.3081
 AlphaG Fr= 1--      0.1047                -0.0225                -0.0230
 Gamma2 Fr= 1--    -12.3949                 6.6434                 4.9925
 Delta2 Fr= 1--     -8.1658                 1.5608                 1.5430
 Raman1 Fr= 1--     245.047                286.179                149.090
 ROA1   Fr= 1--   -1451.215                687.715                528.658
 CID1   Fr= 1--      -5.922                  2.403                  3.546
 Raman2 Fr= 1--      88.736                122.181                 63.698
 ROA2   Fr= 1--    -232.151                146.956                107.476
 CID2   Fr= 1--      -2.616                  1.203                  1.687
 Raman3 Fr= 1--     177.473                244.363                127.395
 ROA3   Fr= 1--   -1451.215                687.715                528.658
 CID3   Fr= 1--      -8.177                  2.814                  4.150
 RC180  Fr= 1--       0.448                  0.708                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.07  -0.06  -0.01    -0.01  -0.01  -0.00
     2   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02     0.01   0.00  -0.01    -0.06  -0.05  -0.05
     7   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    10   1     0.04   0.06   0.04     0.01   0.02   0.01     0.04   0.06   0.04
    11   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.10   0.01  -0.03    -0.10  -0.01   0.04     0.29   0.02  -0.12
    15   1    -0.05  -0.08  -0.04     0.01   0.01   0.00     0.39   0.70   0.39
    16   1    -0.01   0.03  -0.15     0.01  -0.02   0.09     0.00  -0.06   0.28
    17   1     0.54   0.05  -0.20    -0.53  -0.08   0.19     0.05   0.01  -0.02
    18   1    -0.15   0.21  -0.05    -0.39   0.66  -0.15    -0.01   0.02  -0.00
    19   1     0.31   0.54   0.38     0.10   0.14   0.10     0.03   0.05   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3452.1046              3504.7337              3580.0060
 Red. masses --      1.0640                 1.0494                 1.0947
 Frc consts  --      7.4706                 7.5943                 8.2665
 IR Inten    --    218.2757                 1.5194                 8.5171
 RamAct Fr= 1--     60.4534               119.7978                50.5734
  Dep-P Fr= 1--      0.0804                 0.1004                 0.7458
  Dep-U Fr= 1--      0.1488                 0.1824                 0.8544
 Alpha2 Fr= 1--      1.1102                 2.0955                 0.0036
 Beta2  Fr= 1--      1.4994                 3.6426                 7.2014
 AlphaG Fr= 1--     -0.0330                -0.2942                 0.0345
 Gamma2 Fr= 1--     -1.2905                 3.1158                -7.0019
 Delta2 Fr= 1--     -1.4091                 3.4423                -0.8642
 Raman1 Fr= 1--     241.814                479.191                202.293
 ROA1   Fr= 1--    -168.982                409.270               -699.832
 CID1   Fr= 1--      -0.699                  0.854                 -3.459
 Raman2 Fr= 1--      17.993                 43.711                 86.416
 ROA2   Fr= 1--     -19.700                 47.240               -161.131
 CID2   Fr= 1--      -1.095                  1.081                 -1.865
 Raman3 Fr= 1--      35.985                 87.422                172.833
 ROA3   Fr= 1--    -168.982                409.270               -699.832
 CID3   Fr= 1--      -4.696                  4.682                 -4.049
 RC180  Fr= 1--      -0.702                 -0.635                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.01  -0.06  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   7    -0.00  -0.01  -0.00     0.00  -0.04  -0.04     0.07   0.03  -0.04
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.00    -0.00   0.00   0.01     0.00  -0.00   0.01
    10   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.06   0.98   0.07    -0.01  -0.13  -0.01     0.00   0.02   0.00
    12   1     0.08   0.08   0.00     0.48   0.49  -0.02    -0.49  -0.52  -0.01
    13   1    -0.05   0.01   0.06    -0.47   0.09   0.53    -0.43   0.10   0.53
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   730.288281009.065421258.98002
           X            0.99614  -0.08532  -0.02041
           Y            0.08517   0.99633  -0.00820
           Z            0.02103   0.00643   0.99976
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11860     0.08584     0.06880
 Rotational constants (GHZ):           2.47127     1.78853     1.43349
 Zero-point vibrational energy     432973.5 (Joules/Mol)
                                  103.48316 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     93.75   144.41   267.13   330.50   364.23
          (Kelvin)            374.53   406.68   486.60   507.85   621.37
                              674.28   781.20   946.39  1067.82  1157.20
                             1214.51  1248.26  1324.26  1352.60  1369.38
                             1405.45  1552.69  1574.87  1621.80  1713.31
                             1741.80  1798.97  1876.32  1933.73  1975.37
                             1987.34  2031.20  2033.94  2063.91  2144.92
                             2150.84  2169.12  2178.30  2382.79  2639.46
                             4295.99  4368.61  4370.65  4375.96  4454.08
                             4460.47  4463.86  4490.64  4966.81  5042.53
                             5150.83
 
 Zero-point correction=                           0.164911 (Hartree/Particle)
 Thermal correction to Energy=                    0.174047
 Thermal correction to Enthalpy=                  0.174992
 Thermal correction to Gibbs Free Energy=         0.131312
 Sum of electronic and zero-point Energies=           -402.406573
 Sum of electronic and thermal Energies=              -402.397437
 Sum of electronic and thermal Enthalpies=            -402.396493
 Sum of electronic and thermal Free Energies=         -402.440172
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.216             33.566             91.932
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.319
 Vibrational            107.439             27.604             23.425
 Vibration     1          0.597              1.971              4.295
 Vibration     2          0.604              1.949              3.447
 Vibration     3          0.632              1.859              2.271
 Vibration     4          0.652              1.796              1.881
 Vibration     5          0.664              1.757              1.709
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.719              1.599              1.221
 Vibration     9          0.729              1.569              1.153
 Vibration    10          0.793              1.401              0.853
 Vibration    11          0.826              1.320              0.741
 Vibration    12          0.898              1.155              0.559
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.398859D-60        -60.399180       -139.074252
 Total V=0       0.284778D+16         15.454506         35.585316
 Vib (Bot)       0.232319D-73        -73.633914       -169.548354
 Vib (Bot)    1  0.316736D+01          0.500697          1.152898
 Vib (Bot)    2  0.204462D+01          0.310613          0.715213
 Vib (Bot)    3  0.107964D+01          0.033280          0.076629
 Vib (Bot)    4  0.857535D+00         -0.066748         -0.153694
 Vib (Bot)    5  0.769812D+00         -0.113615         -0.261609
 Vib (Bot)    6  0.746030D+00         -0.127244         -0.292989
 Vib (Bot)    7  0.679230D+00         -0.167983         -0.386796
 Vib (Bot)    8  0.549654D+00         -0.259911         -0.598466
 Vib (Bot)    9  0.521690D+00         -0.282588         -0.650682
 Vib (Bot)   10  0.402853D+00         -0.394853         -0.909183
 Vib (Bot)   11  0.360329D+00         -0.443301         -1.020739
 Vib (Bot)   12  0.290981D+00         -0.536136         -1.234499
 Vib (V=0)       0.165872D+03          2.219772          5.111215
 Vib (V=0)    1  0.370658D+01          0.568973          1.310110
 Vib (V=0)    2  0.260487D+01          0.415786          0.957383
 Vib (V=0)    3  0.168980D+01          0.227835          0.524611
 Vib (V=0)    4  0.149266D+01          0.173960          0.400557
 Vib (V=0)    5  0.141794D+01          0.151657          0.349204
 Vib (V=0)    6  0.139809D+01          0.145534          0.335105
 Vib (V=0)    7  0.134342D+01          0.128211          0.295217
 Vib (V=0)    8  0.124305D+01          0.094488          0.217566
 Vib (V=0)    9  0.122261D+01          0.087287          0.200985
 Vib (V=0)   10  0.114210D+01          0.057704          0.132867
 Vib (V=0)   11  0.111631D+01          0.047784          0.110028
 Vib (V=0)   12  0.107851D+01          0.032823          0.075577
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.344796D+06          5.537562         12.750707
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3        3333333 2                                       1      1 11111111111 111 111                                      
     5  5 4        1110000 9                                       8      6 55444443333 221 100  9999 888 7  6   5  44 332222 1  1   
     8  0 5        2009433 8                                       3      5 10993118740 519 297  7542 640 4  5   4  63 538653 8  06  
     0  5 2        1306186 6                                       5      6 48514421344 011 759  7200 844 2  8   3  92 383030 6  05  
 
     X  X X        XXXXXXX X                                       X      X XXXXXXXXXXX XXX XXX  XXXX XXX X  X   X  XX XXXXXX X  XX  
          X         XXX    X                                       X      X      XXX      X        XX X X                            
          X                                                        X      X      XXX                X X                              
          X                                                        X             XXX                X X                              
          X                                                        X             XX                 X X                              
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001652   -0.000000477   -0.000001729
      2        6           0.000003500    0.000002749    0.000003534
      3        6          -0.000007881    0.000011348    0.000002724
      4        6           0.000001928   -0.000003206    0.000000115
      5        8           0.000001125    0.000002898    0.000001454
      6        6           0.000000644   -0.000001155    0.000002439
      7        7           0.000004675   -0.000012241    0.000000111
      8        8          -0.000000846    0.000001242   -0.000002553
      9        1           0.000000887   -0.000001392    0.000000008
     10        1          -0.000002425    0.000000412   -0.000000514
     11        1          -0.000003324   -0.000003229   -0.000003216
     12        1          -0.000000842   -0.000000148   -0.000000524
     13        1           0.000001607   -0.000000222   -0.000000451
     14        1           0.000000510    0.000001430    0.000000271
     15        1           0.000000581   -0.000000337   -0.000000527
     16        1           0.000000614   -0.000000673    0.000000067
     17        1          -0.000000132    0.000001585    0.000000049
     18        1           0.000000382    0.000001853   -0.000000722
     19        1           0.000000649   -0.000000438   -0.000000534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012241 RMS     0.000002981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.814225D+02 -0.273363D+01  0.183519D+01
      2  -0.273363D+01  0.833096D+02 -0.147398D+01
      3   0.183519D+01 -0.147398D+01  0.735976D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.180863D+01  0.161052D+01  0.814223D+01
      2   0.108899D+02  0.208715D+01 -0.284782D+02
      3  -0.105202D+02  0.145874D+02  0.621078D-02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.802656D+02  0.116468D+02  0.217386D+02
      2   0.451957D+02 -0.927706D+01 -0.149082D+02
      3   0.350699D+02 -0.236974D+01 -0.683046D+01
      4  -0.125026D+02 -0.270106D+02  0.121575D+02
      5   0.160624D+02  0.934861D+01 -0.548876D+02
      6   0.116850D+02 -0.116162D+02 -0.212586D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.546648D+01  0.162089D+01 -0.434562D+01  0.118483D+01 -0.370389D+01
      2   0.162089D+01 -0.380078D+01 -0.759107D+00 -0.370389D+01  0.170842D+01
      3  -0.434562D+01 -0.759107D+00  0.211484D+00 -0.505292D+00 -0.309662D+01
                 6             7             8             9            10 
      1  -0.505292D+00 -0.326375D+01 -0.609441D+00 -0.152153D+00 -0.484098D+01
      2  -0.309662D+01 -0.609441D+00 -0.221480D+01 -0.242681D+01 -0.170743D+00
      3  -0.189167D+01 -0.152153D+00 -0.242681D+01  0.284221D+01  0.353580D+01
                11            12            13            14            15 
      1  -0.170743D+00  0.353580D+01  0.710535D+00  0.477028D+01  0.878916D+00
      2   0.399708D+01  0.901336D+00  0.477028D+01  0.135584D+01  0.330252D+01
      3   0.901336D+00  0.317515D+00  0.878916D+00  0.330252D+01  0.299017D+01
                16            17            18            19            20 
      1   0.461487D+01  0.104784D+01  0.320739D+00  0.455020D+01 -0.144448D+00
      2   0.104784D+01  0.296664D+01  0.378101D+01 -0.144448D+00 -0.209409D+01
      3   0.320739D+00  0.378101D+01 -0.403055D+01 -0.220102D+01 -0.134515D+01
                21            22            23            24            25 
      1  -0.220102D+01  0.117974D+00 -0.294276D+01 -0.118954D+01 -0.261276D+01
      2  -0.134515D+01 -0.294276D+01  0.120130D+00  0.437778D-01 -0.154879D+01
      3   0.645178D+00 -0.118954D+01  0.437778D-01 -0.280414D+01  0.100123D+01
                26            27            28            29            30 
      1  -0.154879D+01  0.100123D+01  0.607052D+00  0.714856D+00  0.248699D+00
      2  -0.638885D+00 -0.331098D+01  0.714856D+00  0.238185D+01  0.107947D+01
      3  -0.331098D+01  0.455249D+01  0.248699D+00  0.107947D+01  0.725018D+00
                31            32            33            34            35 
      1  -0.580582D+00  0.492669D+00  0.104792D+01 -0.435256D+00  0.122885D+01
      2   0.492669D+00 -0.505441D+01  0.140296D+01  0.122885D+01  0.223773D+01
      3   0.104792D+01  0.140296D+01  0.108651D+01 -0.101258D+00  0.132689D+01
                36            37            38            39            40 
      1  -0.101258D+00  0.529405D+01 -0.789869D+00  0.201759D+01  0.539140D+00
      2   0.132689D+01 -0.789869D+00  0.351678D+00  0.771621D-01  0.192587D+01
      3  -0.288936D-01  0.201759D+01  0.771621D-01  0.115941D+01  0.114381D+01
                41            42            43            44            45 
      1   0.192587D+01  0.114381D+01  0.243821D+01  0.586035D-01  0.222850D+01
      2   0.353404D+01  0.193712D+01  0.586035D-01  0.492064D+00 -0.569888D+00
      3   0.193712D+01  0.990958D+00  0.222850D+01 -0.569888D+00  0.330647D+01
                46            47            48            49            50 
      1   0.616903D+01  0.311561D+00 -0.303439D+01  0.117193D+01 -0.350052D+01
      2   0.311561D+00 -0.349368D+01 -0.366572D+00 -0.350052D+01 -0.494573D+00
      3  -0.303439D+01 -0.366572D+00  0.308050D+00 -0.614104D+00 -0.209496D+01
                51            52            53            54            55 
      1  -0.614104D+00 -0.360796D+01 -0.449800D+00  0.120535D+01  0.105454D+01
      2  -0.209496D+01 -0.449800D+00 -0.170135D+01 -0.295551D+01  0.557972D+00
      3  -0.210129D+01  0.120535D+01 -0.295551D+01  0.654664D+01  0.203034D+01
                56            57            58            59            60 
      1   0.557972D+00  0.203034D+01  0.231641D+00  0.364091D+01 -0.103594D-01
      2   0.354398D+01  0.138068D+00  0.364091D+01 -0.675550D+00  0.963450D+00
      3   0.138068D+00 -0.215858D+01 -0.103594D-01  0.963450D+00  0.737849D+00
                61            62            63            64            65 
      1   0.296153D+01 -0.975402D+00 -0.251579D+01 -0.107304D+01  0.294502D+01
      2  -0.975402D+00  0.178213D+01  0.890494D+00  0.294502D+01  0.255860D+00
      3  -0.251579D+01  0.890494D+00  0.171983D+01 -0.478744D+00 -0.359397D+00
                66            67            68            69            70 
      1  -0.478744D+00  0.369225D+01  0.927874D+00 -0.120127D+00 -0.355825D+00
      2  -0.359397D+00  0.927874D+00  0.130163D+02 -0.140953D+01 -0.414321D+00
      3  -0.364776D+00 -0.120127D+00 -0.140953D+01  0.178631D+01  0.230032D+00
                71            72            73            74            75 
      1  -0.414321D+00  0.230032D+00 -0.120598D+01  0.529907D+00 -0.922631D+00
      2  -0.865907D+00  0.264422D+01  0.529907D+00 -0.317570D-02  0.175483D+00
      3   0.264422D+01 -0.832098D+00 -0.922631D+00  0.175483D+00 -0.392169D+00
                76            77            78            79            80 
      1   0.717253D+00  0.135284D+00  0.158665D+00 -0.125325D+01  0.502412D+00
      2   0.135284D+00  0.126105D+01 -0.167573D+01  0.502412D+00 -0.191506D+01
      3   0.158665D+00 -0.167573D+01  0.199912D+01 -0.111360D+00  0.185129D+01
                81            82            83            84            85 
      1  -0.111360D+00 -0.238976D+01 -0.175842D+01 -0.175387D+01 -0.237173D+01
      2   0.185129D+01 -0.175842D+01 -0.243576D+01 -0.836622D+00 -0.263475D+01
      3  -0.800873D+01 -0.175387D+01 -0.836622D+00 -0.130829D+01 -0.880538D+00
                86            87            88            89            90 
      1  -0.263475D+01 -0.880538D+00 -0.222032D+01 -0.836128D+00 -0.129675D+01
      2  -0.521209D+01 -0.227789D+01 -0.836128D+00 -0.235113D+01 -0.223385D+01
      3  -0.227789D+01 -0.225076D+01 -0.129675D+01 -0.223385D+01 -0.201508D+01
                91            92            93            94            95 
      1   0.107188D+01 -0.728376D+00 -0.354227D-01 -0.222208D+01 -0.179705D+00
      2  -0.728376D+00 -0.364743D-01 -0.598808D+00 -0.179705D+00 -0.486559D+01
      3  -0.354227D-01 -0.598808D+00  0.865006D-01 -0.163731D+01 -0.627657D+00
                96            97            98            99           100 
      1  -0.163731D+01  0.221880D-01 -0.677726D+00 -0.664429D-01 -0.217456D+01
      2  -0.627657D+00 -0.677726D+00 -0.230515D+00 -0.897100D+00 -0.180131D+01
      3  -0.217264D+01 -0.664429D-01 -0.897100D+00  0.699721D+00 -0.178345D-01
               101           102           103           104           105 
      1  -0.180131D+01 -0.178345D-01 -0.216772D+01 -0.199964D+01 -0.273244D+00
      2  -0.389226D+01 -0.643937D+00 -0.199964D+01 -0.624387D+01 -0.118671D+01
      3  -0.643937D+00 -0.610143D+00 -0.273244D+00 -0.118671D+01 -0.128580D+01
               106           107           108           109           110 
      1   0.203945D+00  0.240660D-01  0.165603D+00  0.349347D+01 -0.160652D+01
      2   0.240660D-01 -0.454654D+00 -0.646841D+00 -0.160652D+01  0.166477D+01
      3   0.165603D+00 -0.646841D+00 -0.221588D+00 -0.236301D+01  0.129536D+01
               111           112           113           114           115 
      1  -0.236301D+01 -0.700685D+00  0.963249D+00  0.610733D+00 -0.307736D+01
      2   0.129536D+01  0.963249D+00 -0.139623D+01 -0.114480D+01  0.156002D+01
      3   0.316386D+01  0.610733D+00 -0.114480D+01 -0.997412D+00  0.300846D+01
               116           117           118           119           120 
      1   0.156002D+01  0.300846D+01 -0.103996D+02  0.138513D+01  0.168760D+01
      2  -0.198719D+01 -0.205935D+01  0.138513D+01 -0.116332D+01 -0.132293D-01
      3  -0.205935D+01 -0.371775D+01  0.168760D+01 -0.132293D-01 -0.153581D+01
               121           122           123           124           125 
      1  -0.524187D+00 -0.852450D+00  0.674104D-01  0.286653D+01 -0.435074D+00
      2  -0.852450D+00  0.193031D+00  0.519039D+00 -0.435074D+00  0.781500D+00
      3   0.674104D-01  0.519039D+00 -0.484194D-01 -0.172397D+01  0.418508D+00
               126           127           128           129           130 
      1  -0.172397D+01  0.124863D+01  0.719913D+00  0.817744D+00  0.148944D+01
      2   0.418508D+00  0.719913D+00  0.186059D+01  0.382075D+00  0.693436D+00
      3   0.483854D+00  0.817744D+00  0.382075D+00  0.745158D+00  0.363376D+00
               131           132           133           134           135 
      1   0.693436D+00  0.363376D+00  0.126983D+01  0.934683D-01  0.186934D+00
      2   0.532296D+01  0.133400D+01  0.934683D-01  0.223249D+01  0.157008D+01
      3   0.133400D+01  0.165874D+01  0.186934D+00  0.157008D+01  0.706527D+00
               136           137           138           139           140 
      1  -0.114629D+01  0.415213D+00 -0.100281D+01  0.164674D+00 -0.105691D+00
      2   0.415213D+00  0.177427D+00  0.229398D+00 -0.105691D+00  0.126863D+01
      3  -0.100281D+01  0.229398D+00 -0.656942D+00  0.397203D+00 -0.131313D+01
               141           142           143           144           145 
      1   0.397203D+00 -0.173858D+01  0.888693D+00 -0.171255D+01 -0.798397D+01
      2  -0.131313D+01  0.888693D+00 -0.199083D+01  0.255550D+01 -0.125173D+01
      3   0.145781D+01 -0.171255D+01  0.255550D+01 -0.856394D+01  0.374354D+01
               146           147           148           149           150 
      1  -0.125173D+01  0.374354D+01 -0.922948D+00 -0.853525D+00  0.453922D+00
      2  -0.104446D+01  0.803416D+00 -0.853525D+00 -0.843083D+00  0.999520D+00
      3   0.803416D+00 -0.320007D+01  0.453922D+00  0.999520D+00 -0.188840D+00
               151           152           153           154           155 
      1   0.240456D+01  0.461654D+00 -0.223320D+01  0.147986D+01 -0.169037D+01
      2   0.461654D+00  0.672063D+00 -0.290873D+00 -0.169037D+01  0.233620D+01
      3  -0.223320D+01 -0.290873D+00  0.215090D+01  0.824577D+00 -0.720001D+00
               156           157           158           159           160 
      1   0.824577D+00 -0.188448D+01  0.197193D+01 -0.342621D+00  0.566788D+00
      2  -0.720001D+00  0.197193D+01 -0.579806D+01  0.233433D+01 -0.363772D+00
      3   0.140032D+01 -0.342621D+00  0.233433D+01 -0.213253D+01  0.832048D+00
               161           162           163           164           165 
      1  -0.363772D+00  0.832048D+00  0.778930D+00  0.741331D+00  0.124947D+01
      2   0.150796D+01 -0.126060D+01  0.741331D+00  0.139457D+01  0.561050D+00
      3  -0.126060D+01  0.101500D+01  0.124947D+01  0.561050D+00  0.146429D+01
               166           167           168           169           170 
      1   0.135475D+01  0.125143D+01  0.451186D+00  0.121661D+01  0.444847D+00
      2   0.125143D+01  0.280305D+01  0.199031D+01  0.444847D+00  0.167775D+01
      3   0.451186D+00  0.199031D+01  0.316603D+01  0.734568D+00  0.161381D+01
               171 
      1   0.734568D+00
      2   0.161381D+01
      3   0.339499D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.466688D+00 -0.782259D+01 -0.101571D+01 -0.673334D+01  0.198999D+01
      2  -0.275299D+01 -0.295135D+01  0.114280D+02 -0.196284D+01  0.112662D+02
      3  -0.208193D+01 -0.895264D+01  0.258892D+01 -0.435982D+01  0.510034D+01
                 6             7             8             9            10 
      1  -0.111682D+02 -0.115978D+01 -0.451358D+01 -0.346329D+00  0.157764D+01
      2   0.378305D+01  0.444806D+01  0.448829D+01 -0.427553D+01 -0.848798D+01
      3  -0.417803D+01  0.151760D+01 -0.264737D+01 -0.339551D+01  0.241100D+01
                11            12            13            14            15 
      1   0.563208D-01  0.768021D-01  0.808031D-01  0.533789D+00 -0.347555D+01
      2  -0.213308D+01  0.422936D+01  0.144429D+01 -0.266184D+01 -0.336596D+01
      3   0.360691D+01  0.174470D+01  0.100547D+02 -0.129565D+01  0.392127D+01
                16            17            18            19            20 
      1  -0.136200D+01  0.257345D+01 -0.197790D+01 -0.156384D+01  0.200501D+01
      2  -0.165565D+01 -0.262360D+01  0.557763D+01  0.132596D+01  0.247421D+00
      3  -0.115281D+01  0.285460D+01  0.430010D+01 -0.751733D+00 -0.372300D+01
                21            22            23            24            25 
      1  -0.640140D+00  0.447978D+01  0.366060D-01  0.897813D-01  0.289898D+01
      2  -0.114490D+01 -0.962813D+00 -0.253960D+01  0.210481D+01 -0.779058D+01
      3   0.413265D-01  0.367358D+01 -0.423659D+00 -0.267154D+01  0.126087D+01
                26            27            28            29            30 
      1   0.401275D+01  0.337697D+01 -0.148445D+01 -0.430074D+01  0.322569D+00
      2  -0.149895D+01  0.353405D+01  0.123647D+02  0.467634D+01  0.306920D+01
      3  -0.775669D+00 -0.504139D-01 -0.308866D+01 -0.769773D+01 -0.245744D+01
                31            32            33            34            35 
      1  -0.419210D+01  0.178363D-01  0.592266D+01  0.259511D+01  0.706905D+01
      2  -0.273913D+00  0.161836D+01 -0.710661D+00 -0.925675D+01 -0.317020D+01
      3  -0.504055D+01  0.816186D+01  0.241463D+01 -0.323193D+00  0.346012D+01
                36            37            38            39            40 
      1  -0.107748D+01 -0.930505D+00  0.387597D+01  0.687801D+00  0.315856D+01
      2  -0.898856D+01 -0.189379D+01 -0.127909D+01  0.478255D+01  0.228514D+00
      3   0.593196D-01  0.241770D+01 -0.688975D+01  0.759180D+00 -0.201106D+01
                41            42            43            44            45 
      1   0.802504D+01  0.375740D+00 -0.113277D+01  0.487075D+01 -0.678627D+00
      2   0.338567D+01  0.325987D+01  0.274991D+01  0.122851D+01  0.886582D+01
      3  -0.122491D+02 -0.638515D+01 -0.188187D+01 -0.562508D+01  0.906925D+00
                46            47            48            49            50 
      1   0.327591D+01  0.262898D+01 -0.524439D+00  0.260991D+01  0.240796D+01
      2   0.107605D+02  0.943623D+00 -0.637231D+00  0.161918D+01  0.284304D+01
      3   0.891052D+01 -0.124322D+02 -0.449944D+01 -0.522321D+01 -0.643043D+01
                51            52            53            54            55 
      1   0.199595D+01 -0.273365D+01  0.745312D+01 -0.773086D+01  0.444180D+01
      2   0.489739D+01 -0.762342D+01  0.713700D+01 -0.142610D+02  0.341527D+01
      3  -0.585637D+01 -0.517020D+01 -0.510517D+01 -0.548849D+01 -0.383017D+01
                56            57            58            59            60 
      1  -0.377316D+01 -0.390054D+01 -0.383439D+01  0.433683D+01 -0.368334D+01
      2  -0.881196D+00  0.215680D+01 -0.943846D+00  0.479443D+01 -0.112695D+01
      3  -0.122204D+02 -0.467302D+01 -0.169671D+01 -0.718994D+01 -0.133034D+01
                61            62            63            64            65 
      1  -0.612232D+01  0.581054D+01  0.357675D+01  0.138264D+01  0.321456D+00
      2  -0.528656D+01  0.126561D+01  0.143731D+01 -0.370695D+01 -0.185062D+01
      3  -0.340326D+01 -0.614102D+00  0.466131D+01 -0.470669D+01  0.469145D+00
                66            67            68            69            70 
      1  -0.680221D+00 -0.800882D+00 -0.855556D+00 -0.118116D+02 -0.791547D+00
      2   0.143051D+01  0.316275D+01 -0.277298D+00  0.225896D+01 -0.136750D+01
      3   0.823020D+00  0.128558D+02 -0.157203D+02  0.137511D+01  0.750035D+00
                71            72            73            74            75 
      1  -0.321962D+00  0.339117D+00 -0.891412D+00  0.436639D+00 -0.228833D+00
      2   0.513753D+01  0.129945D+01 -0.141792D+01  0.804145D+00 -0.642715D-01
      3  -0.110941D+00 -0.455462D+01  0.336709D+00 -0.541230D+00  0.492742D+00
                76            77            78            79            80 
      1  -0.106353D+00 -0.247621D+01  0.667846D+00 -0.102454D+01  0.478424D+01
      2   0.159751D+01 -0.657431D+00 -0.968424D-01 -0.367836D+01  0.823124D+00
      3   0.171063D+01 -0.418816D-01  0.857078D+00 -0.307326D+00  0.129338D+00
                81            82            83            84            85 
      1  -0.195348D+01 -0.457488D+00  0.665296D+00 -0.127135D+01  0.490390D+00
      2  -0.153698D+00  0.896593D+00  0.482769D+00  0.244832D+01 -0.145759D+01
      3  -0.389269D+00 -0.448691D+00 -0.424728D+01 -0.238509D+00  0.791780D+00
                86            87            88            89            90 
      1   0.109738D+01 -0.254044D+01 -0.302116D+00  0.149594D+01 -0.817413D+00
      2   0.144763D+01  0.350233D+01 -0.151661D+01  0.237120D+01  0.231604D+01
      3  -0.669738D+01 -0.305643D+01  0.152492D+01 -0.327380D+01 -0.250951D+01
                91            92            93            94            95 
      1  -0.110137D+00 -0.252431D+01  0.500924D-01 -0.245670D+01 -0.102457D+02
      2   0.167394D+01 -0.183929D+00 -0.103116D+00 -0.959401D+00 -0.189270D+01
      3   0.305734D+00  0.112642D+01  0.111138D+01  0.286665D+01  0.163727D+02
                96            97            98            99           100 
      1  -0.342402D+01 -0.882784D+00 -0.109590D+01  0.978810D+00  0.107969D+01
      2  -0.482412D+01 -0.114133D+01 -0.242317D+01 -0.261497D+00 -0.176124D+01
      3   0.434968D+01  0.711039D+00  0.343637D+01  0.253202D+01  0.857164D+01
               101           102           103           104           105 
      1   0.204421D+01 -0.191090D+01  0.399843D+00  0.235856D+01 -0.306258D+01
      2  -0.884390D+00  0.707455D+00 -0.162221D+01 -0.187163D+01 -0.266255D+00
      3   0.624415D+01  0.334332D+00  0.799215D+01  0.967197D+01  0.219100D+01
               106           107           108           109           110 
      1   0.498076D+00  0.157440D+00  0.594834D+00 -0.354935D+01  0.123034D+01
      2   0.253515D+00 -0.678744D-01  0.516126D+00  0.449052D+00  0.533559D+00
      3  -0.827561D+00  0.291633D+00 -0.781606D-01 -0.516756D+01  0.645377D+00
               111           112           113           114           115 
      1   0.660548D+01  0.587458D+00 -0.104967D+01 -0.199246D+01  0.486270D+01
      2   0.319924D+01 -0.472496D-01 -0.285920D+00 -0.929752D+00 -0.502774D+00
      3   0.319867D+01  0.152473D+01  0.209731D+00 -0.205309D+00  0.475890D+01
               116           117           118           119           120 
      1  -0.122830D+01 -0.587214D+01 -0.274122D+01  0.154139D-01  0.206355D+01
      2  -0.116091D+01 -0.272904D+01 -0.861605D+01  0.452169D+00  0.745701D+01
      3  -0.319713D+00 -0.407526D+01 -0.866134D+01 -0.432030D+01  0.227016D+01
               121           122           123           124           125 
      1   0.425083D+00 -0.636220D+00 -0.984085D+00  0.170987D+01  0.258034D+00
      2  -0.171801D+00 -0.180199D+01  0.190070D+00  0.435166D+01 -0.931164D+00
      3  -0.128719D+01 -0.510029D+00  0.144940D+01  0.239446D+01  0.243982D+01
               126           127           128           129           130 
      1  -0.840500D+00 -0.146394D+01 -0.105754D+01 -0.163550D+01 -0.119642D+01
      2  -0.265223D+01 -0.165216D+01 -0.490896D+00 -0.716930D+00 -0.727007D+00
      3  -0.630536D+00  0.602943D+01  0.548700D+01  0.237011D+01  0.713816D+01
               131           132           133           134           135 
      1  -0.382652D+01 -0.483127D+01 -0.401788D+00 -0.164119D+01 -0.208103D+01
      2  -0.273842D+01 -0.316849D+01 -0.141835D+01 -0.310647D+01 -0.133280D+01
      3   0.136489D+02  0.435896D+01  0.284814D+01  0.539859D+01  0.391693D+01
               136           137           138           139           140 
      1   0.685925D+00 -0.446475D+00  0.616033D+00 -0.560928D+00  0.173418D+00
      2   0.145310D+01 -0.546957D+00  0.175716D+01 -0.376765D+00  0.266863D+01
      3   0.192196D-01  0.233459D+00 -0.175583D+00  0.145592D+01  0.288500D+01
               141           142           143           144           145 
      1  -0.213700D+01  0.793646D+00  0.136274D+01  0.891246D+01  0.112130D+01
      2  -0.319383D+01 -0.687392D+00 -0.450124D+01  0.181746D+02  0.856460D+01
      3  -0.237729D+01 -0.477739D+00 -0.402235D+01  0.445338D+01  0.513966D+01
               146           147           148           149           150 
      1  -0.203621D+01 -0.164179D+01 -0.585304D+00 -0.287777D+00  0.430748D+00
      2   0.535891D+00  0.163218D+01  0.907999D+00 -0.624908D+00 -0.262973D+00
      3  -0.299686D+01 -0.153915D+01  0.465144D+00 -0.713902D+00  0.110588D+01
               151           152           153           154           155 
      1  -0.106147D+01  0.209666D+01  0.122740D+01 -0.258500D+01  0.463617D+01
      2  -0.261199D+01 -0.557720D+00 -0.256791D+00 -0.543538D+01  0.423859D+01
      3  -0.139449D+01  0.136697D+01  0.148374D+01 -0.511924D+01  0.387887D+01
               156           157           158           159           160 
      1   0.139197D+01  0.403823D+01 -0.843843D+01 -0.845913D+00  0.502645D+00
      2  -0.164132D+01  0.492724D+01 -0.719823D+01  0.265838D+01 -0.298827D+01
      3  -0.121540D+01  0.692501D+01 -0.887952D+01  0.283280D+01 -0.106542D+01
               161           162           163           164           165 
      1   0.243766D+01 -0.100541D+01  0.267914D+01  0.404522D+01  0.163513D+01
      2   0.234791D+01 -0.235222D+01 -0.426125D+01 -0.245349D+01 -0.319134D+01
      3   0.182344D+01 -0.274498D+01  0.108284D+01  0.672142D+00 -0.194326D+00
               166           167           168           169           170 
      1   0.327835D+01  0.757918D+01  0.367508D+01  0.174531D+01  0.607653D+01
      2  -0.438205D+01 -0.547396D+01 -0.470902D+01 -0.498290D+01 -0.338907D+01
      3   0.286955D+01  0.273254D+01  0.212236D+01  0.237903D+00  0.129335D+01
               171 
      1   0.463315D+01
      2  -0.537543D+01
      3   0.160301D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.149071D+02 -0.880628D+01  0.183122D+02 -0.746450D+01  0.198241D+02
      2   0.141985D+02  0.131407D+02 -0.941241D+01  0.114604D+02 -0.940785D+01
      3   0.708600D+00 -0.433444D+01 -0.889977D+01 -0.399585D+01 -0.104163D+02
      4  -0.118411D+02  0.539501D+01  0.773198D+01  0.647742D+01  0.169565D+01
      5   0.265388D+02  0.569519D+01 -0.126437D+02  0.384258D+01 -0.159125D+01
      6   0.913520D+01 -0.101074D+02 -0.353815D+01 -0.916880D+01  0.639291D+01
                 6             7             8             9            10 
      1   0.438521D+01  0.133485D+02  0.423277D+01 -0.761788D+01  0.109591D+02
      2   0.877670D+01 -0.657575D+01  0.718398D+01 -0.118568D+01 -0.124491D+02
      3  -0.131619D+02 -0.677275D+01 -0.114167D+02  0.880356D+01  0.148999D+01
      4   0.573729D+01  0.656023D+01  0.439755D+01  0.583113D+01 -0.378865D+01
      5   0.141705D+01 -0.997332D+01  0.372335D+01 -0.572383D+01 -0.119087D+02
      6  -0.787085D+01 -0.217330D+01 -0.592400D+01 -0.857550D+01 -0.605348D+01
                11            12            13            14            15 
      1   0.261158D+00 -0.101441D+02  0.411652D+01 -0.118619D+02 -0.195634D+01
      2  -0.623997D+00  0.411535D+01 -0.312328D+01 -0.623118D-02 -0.360362D+01
      3   0.362839D+00  0.602875D+01 -0.993240D+00  0.118682D+02  0.555997D+01
      4  -0.160812D+02 -0.542185D+01 -0.165819D+02 -0.865368D+01 -0.122558D+02
      5  -0.325585D+01 -0.158115D+01 -0.149078D+01 -0.136080D+02 -0.786734D+01
      6  -0.501340D+01 -0.605735D+00 -0.559527D+01 -0.541194D+01 -0.368145D+01
                16            17            18            19            20 
      1  -0.110831D+02 -0.160705D+01  0.318566D+01 -0.838851D+01 -0.687367D+01
      2   0.411144D+01 -0.195388D+01 -0.202291D+01  0.781403D+01  0.827466D+01
      3   0.697166D+01  0.356093D+01 -0.116275D+01  0.574483D+00 -0.140099D+01
      4  -0.320198D+01 -0.953955D+01 -0.115395D+02  0.525266D+01 -0.723383D-01
      5  -0.293485D+01 -0.106556D+02  0.910715D+01  0.484504D+00 -0.118559D+01
      6  -0.217854D+01 -0.571899D+01 -0.495807D-01  0.469680D+01  0.504792D+01
                21            22            23            24            25 
      1   0.255278D+00 -0.404362D+01  0.319458D+01 -0.438380D+01  0.459570D+01
      2   0.194406D+00  0.435656D+01 -0.566044D+00 -0.523132D+01  0.456237D+00
      3  -0.449684D+00 -0.312933D+00 -0.262853D+01  0.961512D+01 -0.505194D+01
      4   0.673439D+00 -0.467496D+01  0.961659D+01  0.110303D+01 -0.135334D+01
      5  -0.132765D+01 -0.157782D+01  0.258151D+01  0.458813D+01  0.236209D+01
      6   0.330197D+01  0.158224D+01  0.446025D+00 -0.645820D+01 -0.803710D+00
                26            27            28            29            30 
      1  -0.669709D+01  0.809652D+01 -0.394482D+01  0.181496D+01 -0.932601D-01
      2  -0.162404D+01  0.141117D+02  0.583667D+00 -0.208601D+01  0.654013D+01
      3   0.832113D+01 -0.222082D+02  0.336115D+01  0.271043D+00 -0.644687D+01
      4   0.440622D+01 -0.298597D+01  0.282866D+01  0.242375D+01  0.127914D+01
      5  -0.913260D+00 -0.116593D+01 -0.641543D+01  0.328718D+01 -0.139185D+01
      6   0.315796D+01  0.589113D+01 -0.184486D+01 -0.237380D+01  0.163535D+01
                31            32            33            34            35 
      1   0.581084D+01  0.182961D+02  0.161331D+01 -0.100493D+02  0.552449D+01
      2  -0.595287D+01 -0.338978D+02 -0.266017D+00  0.825046D+01 -0.145683D+01
      3   0.142030D+00  0.156017D+02 -0.134729D+01  0.179886D+01 -0.406766D+01
      4  -0.133243D+02 -0.165927D+02  0.366719D+01  0.334296D+01 -0.415515D+00
      5   0.589008D+01  0.593714D+01 -0.896196D+00  0.681978D+00  0.137022D+01
      6   0.415633D+00  0.192105D+01 -0.102793D+02 -0.986881D+00  0.819182D+00
                36            37            38            39            40 
      1  -0.575149D+00  0.350594D+02 -0.199548D+01  0.715261D+01  0.267163D+01
      2  -0.257982D+01 -0.230055D+02  0.166567D+01 -0.932072D+01 -0.177263D+01
      3   0.315497D+01 -0.120539D+02  0.329806D+00  0.216812D+01 -0.898995D+00
      4   0.980079D+00 -0.209434D+01  0.792956D+01  0.343790D+00  0.131428D+02
      5  -0.757207D+01  0.142587D+02 -0.114511D+01  0.140504D+02  0.245971D+01
      6  -0.129925D+01  0.702158D+00  0.102029D+01 -0.223147D+01  0.396847D+00
                41            42            43            44            45 
      1   0.627053D+01  0.419457D+01  0.102668D+02 -0.255151D+00  0.309627D+01
      2  -0.221485D+01 -0.361977D+01 -0.104024D+02  0.111611D+01 -0.150657D+02
      3  -0.405568D+01 -0.574798D+00  0.135524D+00 -0.860960D+00  0.119694D+02
      4   0.990387D+01  0.579649D+01 -0.221101D+01  0.386021D+01 -0.764692D+00
      5   0.622670D+01  0.304848D+01  0.156838D+02 -0.179115D+01  0.174554D+02
      6  -0.139486D+01  0.500277D+01  0.361875D+00  0.433759D+01 -0.108790D+00
                46            47            48            49            50 
      1  -0.409350D+02  0.514188D+01  0.181767D+02 -0.197985D+01  0.170294D+02
      2   0.218783D+02 -0.101530D+02 -0.101344D+02 -0.590411D+01 -0.102352D+02
      3   0.190567D+02  0.501108D+01 -0.804223D+01  0.788396D+01 -0.679420D+01
      4   0.555750D+01  0.127614D+02 -0.228584D+01  0.136420D+02 -0.384087D+01
      5   0.132456D+02  0.374174D+00 -0.535612D+00  0.127572D+01  0.105175D+02
      6  -0.538539D+01 -0.410930D-01  0.710577D+00  0.948031D+00 -0.491835D+01
                51            52            53            54            55 
      1   0.330995D+01  0.223978D+02  0.174033D+01  0.416871D+01  0.114962D+02
      2  -0.956733D+01 -0.101598D+02 -0.911012D+01  0.699257D+01 -0.523969D+01
      3   0.625738D+01 -0.122380D+02  0.736979D+01 -0.111613D+02 -0.625653D+01
      4   0.658149D+01 -0.184245D+01  0.507553D+01  0.102206D+02 -0.473539D+01
      5   0.962310D+01 -0.446794D+01  0.112789D+02 -0.278025D+02  0.528296D+01
      6  -0.405612D+01  0.231844D+01 -0.426464D+01  0.132695D+02 -0.818102D+01
                56            57            58            59            60 
      1   0.114060D+02  0.193382D+01  0.870355D+01  0.196591D+01  0.276999D+01
      2  -0.203757D+02 -0.602397D+01 -0.164263D+02  0.483968D+01 -0.339347D+01
      3   0.896965D+01  0.409014D+01  0.772272D+01 -0.680558D+01  0.623477D+00
      4   0.305179D+01 -0.507359D+01  0.679660D+01 -0.189006D+02  0.268561D+01
      5  -0.328186D+01 -0.106339D+01 -0.224940D+01 -0.202712D+01 -0.273927D+00
      6  -0.240722D+01  0.665637D+01 -0.116130D+01 -0.518868D+01  0.386440D+01
                61            62            63            64            65 
      1  -0.702771D+00  0.254492D+01 -0.452211D+01  0.269131D+01  0.646426D+01
      2  -0.352350D+01 -0.437700D+01 -0.831225D+00  0.536048D+01 -0.222062D+01
      3   0.422627D+01  0.183208D+01  0.535334D+01 -0.805179D+01 -0.424364D+01
      4  -0.656720D+01  0.478950D+01  0.987678D+01  0.688969D+01  0.160212D+02
      5  -0.611124D+01  0.484698D+01  0.951313D+01 -0.144119D+01 -0.210796D+01
      6   0.116024D+02 -0.259004D+01 -0.635542D+01 -0.877253D+00 -0.121586D+01
                66            67            68            69            70 
      1   0.139611D+00  0.334189D+01 -0.344795D+02  0.204227D+01  0.539493D+00
      2  -0.109797D+01  0.147090D+01  0.638988D+02 -0.275138D+01 -0.176160D+01
      3   0.958361D+00 -0.481279D+01 -0.294193D+02  0.709105D+00  0.122211D+01
      4  -0.171008D+01  0.202381D+02  0.320183D+02 -0.380555D+01 -0.166364D+01
      5   0.425425D+01 -0.161577D+01 -0.710399D+01  0.699141D+01  0.446335D+01
      6   0.862424D+00 -0.207759D+01 -0.395162D+01  0.170154D+02  0.186770D+01
                71            72            73            74            75 
      1  -0.192586D-01 -0.754101D+01  0.559819D+00  0.410490D+00 -0.572563D+00
      2  -0.127802D+01  0.654686D+01 -0.503903D+01  0.511002D-01 -0.841318D+00
      3   0.129728D+01  0.994150D+00  0.447921D+01 -0.461590D+00  0.141388D+01
      4  -0.172128D+01  0.666314D+01 -0.103209D-01  0.165947D+01 -0.795614D+00
      5   0.741837D+01 -0.249523D+01  0.991246D+00 -0.169388D+01  0.663222D+01
      6   0.154298D+02 -0.211496D+01 -0.215145D+01 -0.114978D-01 -0.100914D+00
                76            77            78            79            80 
      1   0.294362D+00 -0.419127D+01  0.460290D+01 -0.483059D+00  0.349154D+01
      2   0.819801D+00 -0.138659D+01  0.426783D+01 -0.170824D+01  0.512372D+01
      3  -0.111416D+01  0.557786D+01 -0.887074D+01  0.219130D+01 -0.861526D+01
      4   0.228396D+01  0.631026D+00 -0.173947D+00 -0.189322D-01 -0.205757D+01
      5  -0.121537D+01  0.290377D+00 -0.269914D+00  0.514094D+01  0.179128D+00
      6   0.785018D+00 -0.446573D+01  0.825134D+01 -0.924237D+00  0.624144D+01
                81            82            83            84            85 
      1  -0.188338D+02  0.102967D+02  0.541694D+01  0.524928D+01  0.409571D+01
      2  -0.195316D+02 -0.248125D+01 -0.419762D+00 -0.204632D+01  0.181644D+01
      3   0.383655D+02 -0.781547D+01 -0.499718D+01 -0.320295D+01 -0.591215D+01
      4   0.100988D+01  0.129566D+02  0.145882D+02  0.621342D+01  0.151903D+02
      5  -0.389166D+00  0.882465D+01  0.547987D+01  0.789977D+01  0.556922D+01
      6  -0.570681D+01  0.475936D+01  0.410008D+01  0.370577D+01  0.478769D+01
                86            87            88            89            90 
      1  -0.355323D+00  0.121788D+00  0.420104D+01 -0.107257D+01 -0.629397D+00
      2   0.108730D+02  0.365034D+01 -0.229461D+01  0.192126D+01 -0.135934D+01
      3  -0.105177D+02 -0.377213D+01 -0.190643D+01 -0.848683D+00  0.198874D+01
      4   0.220915D+02  0.964154D+01  0.558361D+01  0.917135D+01  0.939674D+01
      5   0.905310D+01  0.802041D+01  0.859943D+01  0.856731D+01  0.879502D+01
      6   0.109728D+02  0.892801D+01  0.429300D+01  0.969896D+01  0.826673D+01
                91            92            93            94            95 
      1   0.241026D+01 -0.300543D+01 -0.222439D+00 -0.994734D+01 -0.336217D+01
      2  -0.281021D-01  0.641235D+00  0.200640D+01  0.624960D+01  0.293535D+01
      3  -0.238216D+01  0.236419D+01 -0.178396D+01  0.369773D+01  0.426820D+00
      4  -0.490837D+01  0.107857D+01 -0.190223D+01  0.830691D+00 -0.153472D+02
      5  -0.595298D+00 -0.198409D+01 -0.492186D+00 -0.681778D+01 -0.116471D+01
      6  -0.595255D+00  0.176745D+01 -0.915010D+00  0.333328D+01 -0.172818D+01
                96            97            98            99           100 
      1  -0.478316D+01 -0.271218D+01 -0.821646D+00 -0.192552D+01 -0.505059D+01
      2   0.567016D+01  0.216994D+01 -0.519618D-01  0.190803D+01  0.860460D+01
      3  -0.886995D+00  0.542243D+00  0.873608D+00  0.174918D-01 -0.355401D+01
      4   0.761502D-01 -0.312483D+01  0.446079D-01 -0.277336D+01  0.769820D+01
      5  -0.757990D+01  0.156969D+00 -0.292530D+01  0.577287D+00  0.316268D+01
      6   0.273317D+01  0.204317D+00  0.274371D+01 -0.278511D+01  0.231076D+01
               101           102           103           104           105 
      1  -0.119124D+02 -0.230245D+01 -0.795655D+01 -0.203837D+02 -0.458349D+01
      2   0.182187D+02  0.159451D+01  0.111199D+02  0.307703D+02  0.394345D+01
      3  -0.630634D+01  0.707937D+00 -0.316331D+01 -0.103866D+02  0.640032D+00
      4   0.750328D+01  0.263552D+00  0.749218D+01  0.595482D+01  0.157490D+00
      5   0.245868D+01  0.922947D+00  0.274468D+01  0.207507D+01 -0.639846D+00
      6   0.720483D+01  0.341286D+01  0.376636D+01  0.120012D+02  0.740562D+01
               106           107           108           109           110 
      1   0.110397D+01 -0.160197D+01 -0.130810D+01  0.404945D+01  0.133294D+01
      2  -0.417961D+00  0.156261D+01  0.121243D+01 -0.466374D+01 -0.154561D+01
      3  -0.686005D+00  0.393648D-01  0.956698D-01  0.614284D+00  0.212665D+00
      4   0.717115D-02 -0.179489D+00  0.144890D+00 -0.120158D+02  0.800441D+01
      5   0.240241D+01  0.132515D+00  0.559706D+00 -0.133781D+02  0.670502D+01
      6  -0.329488D+00  0.479907D+01  0.152274D+01  0.106687D+02 -0.829229D+01
               111           112           113           114           115 
      1   0.837204D-01  0.107616D+01 -0.382377D+01 -0.289183D+01  0.526531D+00
      2   0.415821D+01 -0.184251D+01  0.423664D+01  0.290059D+01  0.437226D+01
      3  -0.424193D+01  0.766347D+00 -0.412867D+00 -0.876257D-02 -0.489879D+01
      4   0.904539D+01  0.584036D+01 -0.494434D+01 -0.441864D+01  0.106931D+02
      5   0.131139D+02  0.274019D+01 -0.442995D+01 -0.323589D+01  0.143369D+02
      6  -0.133222D+02 -0.497916D+01  0.706232D+01  0.820384D+01 -0.129242D+02
               116           117           118           119           120 
      1  -0.463907D+01 -0.416540D+01  0.707877D+02 -0.653585D+01 -0.110365D+02
      2   0.248552D+01 -0.451499D+01 -0.349888D+02  0.135539D+01  0.568134D+01
      3   0.215355D+01  0.868039D+01 -0.357989D+02  0.518046D+01  0.535518D+01
      4  -0.715224D+01 -0.110808D+02 -0.180293D+02  0.108804D+02  0.235950D+01
      5  -0.739781D+01 -0.148244D+02 -0.621177D+01  0.938945D-01  0.107063D+02
      6   0.122619D+02  0.165560D+02  0.348255D+01  0.121175D-01 -0.332180D+01
               121           122           123           124           125 
      1   0.345240D+01  0.517131D+01 -0.965518D+00 -0.176960D+02  0.167925D+01
      2  -0.345631D+01 -0.800170D+00  0.164933D+01  0.916532D+01  0.757644D+00
      3   0.391018D-02 -0.437114D+01 -0.683808D+00  0.853070D+01 -0.243689D+01
      4   0.861852D+01 -0.141767D+01 -0.291696D+01  0.520573D+01 -0.440050D+01
      5  -0.128874D+00 -0.251508D+01  0.326601D+00  0.112750D+02 -0.200426D+01
      6  -0.331342D+00  0.943365D+00  0.133987D+01 -0.293146D+01  0.174639D+01
               126           127           128           129           130 
      1   0.830966D+01 -0.107974D+01 -0.556125D+01 -0.405578D+01 -0.776420D+01
      2  -0.623925D+01  0.275790D+01  0.687269D+01  0.286980D+01  0.673545D+01
      3  -0.207040D+01 -0.167816D+01 -0.131144D+01  0.118598D+01  0.102875D+01
      4  -0.301427D+01  0.139333D+01 -0.306753D+01  0.756094D+00  0.278865D+01
      5  -0.408199D+01 -0.289687D+01 -0.984976D+00 -0.197884D+01 -0.196939D+01
      6   0.620833D+00  0.182643D+01  0.770248D+00  0.230073D+01  0.814968D+00
               131           132           133           134           135 
      1  -0.156836D+02 -0.483745D+01 -0.623252D+01 -0.452517D+01 -0.547796D+01
      2   0.255977D+02  0.763619D+01  0.323342D+01  0.794757D+01  0.351074D+01
      3  -0.991405D+01 -0.279875D+01  0.299910D+01 -0.342239D+01  0.196722D+01
      4  -0.150529D+02 -0.350845D+01  0.250772D+01 -0.663779D+01 -0.395583D+01
      5  -0.554649D+01 -0.677397D+01  0.380454D+00 -0.558302D+01 -0.155612D+01
      6   0.453454D+01  0.645997D+01  0.757955D+00  0.631696D+01  0.327158D+01
               136           137           138           139           140 
      1   0.589469D+01 -0.211605D+01  0.361768D+01 -0.230866D+00 -0.492058D+01
      2  -0.511927D+01  0.165052D+01 -0.264570D+01  0.505434D+00  0.323672D+01
      3  -0.775426D+00  0.465531D+00 -0.971973D+00 -0.274568D+00  0.168386D+01
      4  -0.320369D+01  0.165282D+01 -0.304963D+01  0.267214D+01 -0.505223D+01
      5   0.533019D+01 -0.246034D+01  0.848706D+01 -0.252245D+01  0.561006D+01
      6  -0.204414D+01  0.970011D+00 -0.183632D+01  0.183864D+01 -0.540004D+01
               141           142           143           144           145 
      1   0.235322D+01  0.531985D+01  0.239698D+01 -0.970948D+01  0.347744D+02
      2  -0.118549D+01 -0.536683D+01 -0.483325D-01 -0.140401D+02 -0.238784D+02
      3  -0.116774D+01  0.469790D-01 -0.234864D+01  0.237496D+02 -0.108960D+02
      4   0.599574D+01 -0.653683D+01  0.886093D+01 -0.964748D+01  0.162436D+02
      5  -0.694094D+01  0.137839D+02 -0.114070D+02  0.382758D+02 -0.352044D+02
      6   0.100046D+02 -0.395108D+01  0.109612D+02 -0.199585D+02 -0.732693D+01
               146           147           148           149           150 
      1   0.342707D+01 -0.102105D+02  0.247467D+01  0.122645D+01 -0.527391D+00
      2  -0.169505D+01  0.134128D+02 -0.844937D+00 -0.226731D+00 -0.619690D+00
      3  -0.173202D+01 -0.320232D+01 -0.162973D+01 -0.999722D+00  0.114708D+01
      4   0.932021D+01 -0.806176D+01  0.835710D+01  0.438494D+01 -0.473179D+01
      5  -0.607888D+01  0.235597D+02 -0.383444D+01 -0.496326D+01  0.237520D+01
      6  -0.514646D+01  0.633760D+01 -0.382031D+01 -0.332290D+01  0.504009D+01
               151           152           153           154           155 
      1  -0.576835D+01 -0.676214D+00  0.424998D+01 -0.418997D+01  0.873214D+01
      2   0.924973D+01  0.449761D+00 -0.101283D+02  0.378913D+01 -0.856366D+01
      3  -0.348138D+01  0.226454D+00  0.587831D+01  0.400843D+00 -0.168489D+00
      4  -0.516879D+01 -0.338952D+01  0.447429D+01 -0.121813D+01  0.118567D+01
      5   0.180092D+02  0.303584D+01 -0.151944D+02  0.149381D+01 -0.319695D+01
      6   0.465865D+01  0.420966D+01 -0.399632D+01 -0.501842D+01  0.865330D+01
               156           157           158           159           160 
      1  -0.682130D+01  0.794210D+01 -0.211382D+02  0.878246D+01 -0.383837D+01
      2   0.138620D+01 -0.799664D+01  0.233046D+02 -0.411233D+01  0.748700D+00
      3   0.543510D+01  0.545381D-01 -0.216642D+01 -0.467013D+01  0.308967D+01
      4  -0.412889D+00  0.254998D+01  0.666071D+01 -0.384775D+01 -0.727704D+00
      5   0.188704D+01 -0.465137D+01  0.597819D+00  0.213068D+01  0.297458D+01
      6  -0.520668D+01  0.613390D+01 -0.205535D+02  0.132726D+02 -0.388759D+01
               161           162           163           164           165 
      1   0.633498D+01 -0.740799D+01 -0.191996D+01 -0.124632D+01 -0.701501D+01
      2  -0.298148D+01  0.240246D+01 -0.237551D+01 -0.236498D+01 -0.165978D+01
      3  -0.335351D+01  0.500553D+01  0.429547D+01  0.361130D+01  0.867479D+01
      4  -0.166109D+01  0.762769D-01  0.291153D+00 -0.925129D+00 -0.142681D+01
      5  -0.187108D+00  0.854271D+00  0.273800D+00  0.180752D+01  0.309839D+01
      6   0.108928D+02 -0.674062D+01  0.189628D+01  0.506279D+01  0.215458D+01
               166           167           168           169           170 
      1  -0.277048D+01 -0.831808D+01 -0.826405D+01 -0.495746D+01 -0.504741D+01
      2  -0.859684D+00  0.128189D+00 -0.610949D+01 -0.770325D+00 -0.468384D+01
      3   0.363017D+01  0.818989D+01  0.143735D+02  0.572778D+01  0.973125D+01
      4  -0.917130D+00 -0.588889D+01 -0.394793D+01 -0.148378D+01 -0.345136D+01
      5   0.355127D+01  0.605569D-01 -0.404314D+01  0.465877D+01 -0.421628D+00
      6   0.416636D+01  0.105876D+02  0.842173D+01  0.229258D+01  0.819073D+01
               171 
      1  -0.104580D+02
      2  -0.825086D+01
      3   0.187089D+02
      4  -0.291180D+01
      5  -0.249705D+01
      6   0.681826D+01
 Leave Link  716 at Thu Aug 12 21:24:53 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.814225D+02 -0.273363D+01  0.183519D+01
      2  -0.273363D+01  0.833096D+02 -0.147398D+01
      3   0.183519D+01 -0.147398D+01  0.735976D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.180863D+01  0.161052D+01  0.814223D+01
      2   0.108899D+02  0.208715D+01 -0.284782D+02
      3  -0.105202D+02  0.145874D+02  0.621078D-02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.802656D+02  0.116468D+02  0.217386D+02
      2   0.451957D+02 -0.927706D+01 -0.149082D+02
      3   0.350699D+02 -0.236974D+01 -0.683046D+01
      4  -0.125026D+02 -0.270106D+02  0.121575D+02
      5   0.160624D+02  0.934861D+01 -0.548876D+02
      6   0.116850D+02 -0.116162D+02 -0.212586D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.546648D+01  0.162089D+01 -0.434562D+01  0.118483D+01 -0.370389D+01
      2   0.162089D+01 -0.380078D+01 -0.759107D+00 -0.370389D+01  0.170842D+01
      3  -0.434562D+01 -0.759107D+00  0.211484D+00 -0.505292D+00 -0.309662D+01
                 6             7             8             9            10 
      1  -0.505292D+00 -0.326375D+01 -0.609441D+00 -0.152153D+00 -0.484098D+01
      2  -0.309662D+01 -0.609441D+00 -0.221480D+01 -0.242681D+01 -0.170743D+00
      3  -0.189167D+01 -0.152153D+00 -0.242681D+01  0.284221D+01  0.353580D+01
                11            12            13            14            15 
      1  -0.170743D+00  0.353580D+01  0.710535D+00  0.477028D+01  0.878916D+00
      2   0.399708D+01  0.901336D+00  0.477028D+01  0.135584D+01  0.330252D+01
      3   0.901336D+00  0.317515D+00  0.878916D+00  0.330252D+01  0.299017D+01
                16            17            18            19            20 
      1   0.461487D+01  0.104784D+01  0.320739D+00  0.455020D+01 -0.144448D+00
      2   0.104784D+01  0.296664D+01  0.378101D+01 -0.144448D+00 -0.209409D+01
      3   0.320739D+00  0.378101D+01 -0.403055D+01 -0.220102D+01 -0.134515D+01
                21            22            23            24            25 
      1  -0.220102D+01  0.117974D+00 -0.294276D+01 -0.118954D+01 -0.261276D+01
      2  -0.134515D+01 -0.294276D+01  0.120130D+00  0.437778D-01 -0.154879D+01
      3   0.645178D+00 -0.118954D+01  0.437778D-01 -0.280414D+01  0.100123D+01
                26            27            28            29            30 
      1  -0.154879D+01  0.100123D+01  0.607052D+00  0.714856D+00  0.248699D+00
      2  -0.638885D+00 -0.331098D+01  0.714856D+00  0.238185D+01  0.107947D+01
      3  -0.331098D+01  0.455249D+01  0.248699D+00  0.107947D+01  0.725018D+00
                31            32            33            34            35 
      1  -0.580582D+00  0.492669D+00  0.104792D+01 -0.435256D+00  0.122885D+01
      2   0.492669D+00 -0.505441D+01  0.140296D+01  0.122885D+01  0.223773D+01
      3   0.104792D+01  0.140296D+01  0.108651D+01 -0.101258D+00  0.132689D+01
                36            37            38            39            40 
      1  -0.101258D+00  0.529405D+01 -0.789869D+00  0.201759D+01  0.539140D+00
      2   0.132689D+01 -0.789869D+00  0.351678D+00  0.771621D-01  0.192587D+01
      3  -0.288936D-01  0.201759D+01  0.771621D-01  0.115941D+01  0.114381D+01
                41            42            43            44            45 
      1   0.192587D+01  0.114381D+01  0.243821D+01  0.586035D-01  0.222850D+01
      2   0.353404D+01  0.193712D+01  0.586035D-01  0.492064D+00 -0.569888D+00
      3   0.193712D+01  0.990958D+00  0.222850D+01 -0.569888D+00  0.330647D+01
                46            47            48            49            50 
      1   0.616903D+01  0.311561D+00 -0.303439D+01  0.117193D+01 -0.350052D+01
      2   0.311561D+00 -0.349368D+01 -0.366572D+00 -0.350052D+01 -0.494573D+00
      3  -0.303439D+01 -0.366572D+00  0.308050D+00 -0.614104D+00 -0.209496D+01
                51            52            53            54            55 
      1  -0.614104D+00 -0.360796D+01 -0.449800D+00  0.120535D+01  0.105454D+01
      2  -0.209496D+01 -0.449800D+00 -0.170135D+01 -0.295551D+01  0.557972D+00
      3  -0.210129D+01  0.120535D+01 -0.295551D+01  0.654664D+01  0.203034D+01
                56            57            58            59            60 
      1   0.557972D+00  0.203034D+01  0.231641D+00  0.364091D+01 -0.103594D-01
      2   0.354398D+01  0.138068D+00  0.364091D+01 -0.675550D+00  0.963450D+00
      3   0.138068D+00 -0.215858D+01 -0.103594D-01  0.963450D+00  0.737849D+00
                61            62            63            64            65 
      1   0.296153D+01 -0.975402D+00 -0.251579D+01 -0.107304D+01  0.294502D+01
      2  -0.975402D+00  0.178213D+01  0.890494D+00  0.294502D+01  0.255860D+00
      3  -0.251579D+01  0.890494D+00  0.171983D+01 -0.478744D+00 -0.359397D+00
                66            67            68            69            70 
      1  -0.478744D+00  0.369225D+01  0.927874D+00 -0.120127D+00 -0.355825D+00
      2  -0.359397D+00  0.927874D+00  0.130163D+02 -0.140953D+01 -0.414321D+00
      3  -0.364776D+00 -0.120127D+00 -0.140953D+01  0.178631D+01  0.230032D+00
                71            72            73            74            75 
      1  -0.414321D+00  0.230032D+00 -0.120598D+01  0.529907D+00 -0.922631D+00
      2  -0.865907D+00  0.264422D+01  0.529907D+00 -0.317570D-02  0.175483D+00
      3   0.264422D+01 -0.832098D+00 -0.922631D+00  0.175483D+00 -0.392169D+00
                76            77            78            79            80 
      1   0.717253D+00  0.135284D+00  0.158665D+00 -0.125325D+01  0.502412D+00
      2   0.135284D+00  0.126105D+01 -0.167573D+01  0.502412D+00 -0.191506D+01
      3   0.158665D+00 -0.167573D+01  0.199912D+01 -0.111360D+00  0.185129D+01
                81            82            83            84            85 
      1  -0.111360D+00 -0.238976D+01 -0.175842D+01 -0.175387D+01 -0.237173D+01
      2   0.185129D+01 -0.175842D+01 -0.243576D+01 -0.836622D+00 -0.263475D+01
      3  -0.800873D+01 -0.175387D+01 -0.836622D+00 -0.130829D+01 -0.880538D+00
                86            87            88            89            90 
      1  -0.263475D+01 -0.880538D+00 -0.222032D+01 -0.836128D+00 -0.129675D+01
      2  -0.521209D+01 -0.227789D+01 -0.836128D+00 -0.235113D+01 -0.223385D+01
      3  -0.227789D+01 -0.225076D+01 -0.129675D+01 -0.223385D+01 -0.201508D+01
                91            92            93            94            95 
      1   0.107188D+01 -0.728376D+00 -0.354227D-01 -0.222208D+01 -0.179705D+00
      2  -0.728376D+00 -0.364743D-01 -0.598808D+00 -0.179705D+00 -0.486559D+01
      3  -0.354227D-01 -0.598808D+00  0.865006D-01 -0.163731D+01 -0.627657D+00
                96            97            98            99           100 
      1  -0.163731D+01  0.221880D-01 -0.677726D+00 -0.664429D-01 -0.217456D+01
      2  -0.627657D+00 -0.677726D+00 -0.230515D+00 -0.897100D+00 -0.180131D+01
      3  -0.217264D+01 -0.664429D-01 -0.897100D+00  0.699721D+00 -0.178345D-01
               101           102           103           104           105 
      1  -0.180131D+01 -0.178345D-01 -0.216772D+01 -0.199964D+01 -0.273244D+00
      2  -0.389226D+01 -0.643937D+00 -0.199964D+01 -0.624387D+01 -0.118671D+01
      3  -0.643937D+00 -0.610143D+00 -0.273244D+00 -0.118671D+01 -0.128580D+01
               106           107           108           109           110 
      1   0.203945D+00  0.240660D-01  0.165603D+00  0.349347D+01 -0.160652D+01
      2   0.240660D-01 -0.454654D+00 -0.646841D+00 -0.160652D+01  0.166477D+01
      3   0.165603D+00 -0.646841D+00 -0.221588D+00 -0.236301D+01  0.129536D+01
               111           112           113           114           115 
      1  -0.236301D+01 -0.700685D+00  0.963249D+00  0.610733D+00 -0.307736D+01
      2   0.129536D+01  0.963249D+00 -0.139623D+01 -0.114480D+01  0.156002D+01
      3   0.316386D+01  0.610733D+00 -0.114480D+01 -0.997412D+00  0.300846D+01
               116           117           118           119           120 
      1   0.156002D+01  0.300846D+01 -0.103996D+02  0.138513D+01  0.168760D+01
      2  -0.198719D+01 -0.205935D+01  0.138513D+01 -0.116332D+01 -0.132293D-01
      3  -0.205935D+01 -0.371775D+01  0.168760D+01 -0.132293D-01 -0.153581D+01
               121           122           123           124           125 
      1  -0.524187D+00 -0.852450D+00  0.674104D-01  0.286653D+01 -0.435074D+00
      2  -0.852450D+00  0.193031D+00  0.519039D+00 -0.435074D+00  0.781500D+00
      3   0.674104D-01  0.519039D+00 -0.484194D-01 -0.172397D+01  0.418508D+00
               126           127           128           129           130 
      1  -0.172397D+01  0.124863D+01  0.719913D+00  0.817744D+00  0.148944D+01
      2   0.418508D+00  0.719913D+00  0.186059D+01  0.382075D+00  0.693436D+00
      3   0.483854D+00  0.817744D+00  0.382075D+00  0.745158D+00  0.363376D+00
               131           132           133           134           135 
      1   0.693436D+00  0.363376D+00  0.126983D+01  0.934683D-01  0.186934D+00
      2   0.532296D+01  0.133400D+01  0.934683D-01  0.223249D+01  0.157008D+01
      3   0.133400D+01  0.165874D+01  0.186934D+00  0.157008D+01  0.706527D+00
               136           137           138           139           140 
      1  -0.114629D+01  0.415213D+00 -0.100281D+01  0.164674D+00 -0.105691D+00
      2   0.415213D+00  0.177427D+00  0.229398D+00 -0.105691D+00  0.126863D+01
      3  -0.100281D+01  0.229398D+00 -0.656942D+00  0.397203D+00 -0.131313D+01
               141           142           143           144           145 
      1   0.397203D+00 -0.173858D+01  0.888693D+00 -0.171255D+01 -0.798397D+01
      2  -0.131313D+01  0.888693D+00 -0.199083D+01  0.255550D+01 -0.125173D+01
      3   0.145781D+01 -0.171255D+01  0.255550D+01 -0.856394D+01  0.374354D+01
               146           147           148           149           150 
      1  -0.125173D+01  0.374354D+01 -0.922948D+00 -0.853525D+00  0.453922D+00
      2  -0.104446D+01  0.803416D+00 -0.853525D+00 -0.843083D+00  0.999520D+00
      3   0.803416D+00 -0.320007D+01  0.453922D+00  0.999520D+00 -0.188840D+00
               151           152           153           154           155 
      1   0.240456D+01  0.461654D+00 -0.223320D+01  0.147986D+01 -0.169037D+01
      2   0.461654D+00  0.672063D+00 -0.290873D+00 -0.169037D+01  0.233620D+01
      3  -0.223320D+01 -0.290873D+00  0.215090D+01  0.824577D+00 -0.720001D+00
               156           157           158           159           160 
      1   0.824577D+00 -0.188448D+01  0.197193D+01 -0.342621D+00  0.566788D+00
      2  -0.720001D+00  0.197193D+01 -0.579806D+01  0.233433D+01 -0.363772D+00
      3   0.140032D+01 -0.342621D+00  0.233433D+01 -0.213253D+01  0.832048D+00
               161           162           163           164           165 
      1  -0.363772D+00  0.832048D+00  0.778930D+00  0.741331D+00  0.124947D+01
      2   0.150796D+01 -0.126060D+01  0.741331D+00  0.139457D+01  0.561050D+00
      3  -0.126060D+01  0.101500D+01  0.124947D+01  0.561050D+00  0.146429D+01
               166           167           168           169           170 
      1   0.135475D+01  0.125143D+01  0.451186D+00  0.121661D+01  0.444847D+00
      2   0.125143D+01  0.280305D+01  0.199031D+01  0.444847D+00  0.167775D+01
      3   0.451186D+00  0.199031D+01  0.316603D+01  0.734568D+00  0.161381D+01
               171 
      1   0.734568D+00
      2   0.161381D+01
      3   0.339499D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.466688D+00 -0.782259D+01 -0.101571D+01 -0.673334D+01  0.198999D+01
      2  -0.275299D+01 -0.295135D+01  0.114280D+02 -0.196284D+01  0.112662D+02
      3  -0.208193D+01 -0.895264D+01  0.258892D+01 -0.435982D+01  0.510034D+01
                 6             7             8             9            10 
      1  -0.111682D+02 -0.115978D+01 -0.451358D+01 -0.346329D+00  0.157764D+01
      2   0.378305D+01  0.444806D+01  0.448829D+01 -0.427553D+01 -0.848798D+01
      3  -0.417803D+01  0.151760D+01 -0.264737D+01 -0.339551D+01  0.241100D+01
                11            12            13            14            15 
      1   0.563208D-01  0.768021D-01  0.808031D-01  0.533789D+00 -0.347555D+01
      2  -0.213308D+01  0.422936D+01  0.144429D+01 -0.266184D+01 -0.336596D+01
      3   0.360691D+01  0.174470D+01  0.100547D+02 -0.129565D+01  0.392127D+01
                16            17            18            19            20 
      1  -0.136200D+01  0.257345D+01 -0.197790D+01 -0.156384D+01  0.200501D+01
      2  -0.165565D+01 -0.262360D+01  0.557763D+01  0.132596D+01  0.247421D+00
      3  -0.115281D+01  0.285460D+01  0.430010D+01 -0.751733D+00 -0.372300D+01
                21            22            23            24            25 
      1  -0.640140D+00  0.447978D+01  0.366060D-01  0.897813D-01  0.289898D+01
      2  -0.114490D+01 -0.962813D+00 -0.253960D+01  0.210481D+01 -0.779058D+01
      3   0.413265D-01  0.367358D+01 -0.423659D+00 -0.267154D+01  0.126087D+01
                26            27            28            29            30 
      1   0.401275D+01  0.337697D+01 -0.148445D+01 -0.430074D+01  0.322569D+00
      2  -0.149895D+01  0.353405D+01  0.123647D+02  0.467634D+01  0.306920D+01
      3  -0.775669D+00 -0.504139D-01 -0.308866D+01 -0.769773D+01 -0.245744D+01
                31            32            33            34            35 
      1  -0.419210D+01  0.178363D-01  0.592266D+01  0.259511D+01  0.706905D+01
      2  -0.273913D+00  0.161836D+01 -0.710661D+00 -0.925675D+01 -0.317020D+01
      3  -0.504055D+01  0.816186D+01  0.241463D+01 -0.323193D+00  0.346012D+01
                36            37            38            39            40 
      1  -0.107748D+01 -0.930505D+00  0.387597D+01  0.687801D+00  0.315856D+01
      2  -0.898856D+01 -0.189379D+01 -0.127909D+01  0.478255D+01  0.228514D+00
      3   0.593196D-01  0.241770D+01 -0.688975D+01  0.759180D+00 -0.201106D+01
                41            42            43            44            45 
      1   0.802504D+01  0.375740D+00 -0.113277D+01  0.487075D+01 -0.678627D+00
      2   0.338567D+01  0.325987D+01  0.274991D+01  0.122851D+01  0.886582D+01
      3  -0.122491D+02 -0.638515D+01 -0.188187D+01 -0.562508D+01  0.906925D+00
                46            47            48            49            50 
      1   0.327591D+01  0.262898D+01 -0.524439D+00  0.260991D+01  0.240796D+01
      2   0.107605D+02  0.943623D+00 -0.637231D+00  0.161918D+01  0.284304D+01
      3   0.891052D+01 -0.124322D+02 -0.449944D+01 -0.522321D+01 -0.643043D+01
                51            52            53            54            55 
      1   0.199595D+01 -0.273365D+01  0.745312D+01 -0.773086D+01  0.444180D+01
      2   0.489739D+01 -0.762342D+01  0.713700D+01 -0.142610D+02  0.341527D+01
      3  -0.585637D+01 -0.517020D+01 -0.510517D+01 -0.548849D+01 -0.383017D+01
                56            57            58            59            60 
      1  -0.377316D+01 -0.390054D+01 -0.383439D+01  0.433683D+01 -0.368334D+01
      2  -0.881196D+00  0.215680D+01 -0.943846D+00  0.479443D+01 -0.112695D+01
      3  -0.122204D+02 -0.467302D+01 -0.169671D+01 -0.718994D+01 -0.133034D+01
                61            62            63            64            65 
      1  -0.612232D+01  0.581054D+01  0.357675D+01  0.138264D+01  0.321456D+00
      2  -0.528656D+01  0.126561D+01  0.143731D+01 -0.370695D+01 -0.185062D+01
      3  -0.340326D+01 -0.614102D+00  0.466131D+01 -0.470669D+01  0.469145D+00
                66            67            68            69            70 
      1  -0.680221D+00 -0.800882D+00 -0.855556D+00 -0.118116D+02 -0.791547D+00
      2   0.143051D+01  0.316275D+01 -0.277298D+00  0.225896D+01 -0.136750D+01
      3   0.823020D+00  0.128558D+02 -0.157203D+02  0.137511D+01  0.750035D+00
                71            72            73            74            75 
      1  -0.321962D+00  0.339117D+00 -0.891412D+00  0.436639D+00 -0.228833D+00
      2   0.513753D+01  0.129945D+01 -0.141792D+01  0.804145D+00 -0.642715D-01
      3  -0.110941D+00 -0.455462D+01  0.336709D+00 -0.541230D+00  0.492742D+00
                76            77            78            79            80 
      1  -0.106353D+00 -0.247621D+01  0.667846D+00 -0.102454D+01  0.478424D+01
      2   0.159751D+01 -0.657431D+00 -0.968424D-01 -0.367836D+01  0.823124D+00
      3   0.171063D+01 -0.418816D-01  0.857078D+00 -0.307326D+00  0.129338D+00
                81            82            83            84            85 
      1  -0.195348D+01 -0.457488D+00  0.665296D+00 -0.127135D+01  0.490390D+00
      2  -0.153698D+00  0.896593D+00  0.482769D+00  0.244832D+01 -0.145759D+01
      3  -0.389269D+00 -0.448691D+00 -0.424728D+01 -0.238509D+00  0.791780D+00
                86            87            88            89            90 
      1   0.109738D+01 -0.254044D+01 -0.302116D+00  0.149594D+01 -0.817413D+00
      2   0.144763D+01  0.350233D+01 -0.151661D+01  0.237120D+01  0.231604D+01
      3  -0.669738D+01 -0.305643D+01  0.152492D+01 -0.327380D+01 -0.250951D+01
                91            92            93            94            95 
      1  -0.110137D+00 -0.252431D+01  0.500924D-01 -0.245670D+01 -0.102457D+02
      2   0.167394D+01 -0.183929D+00 -0.103116D+00 -0.959401D+00 -0.189270D+01
      3   0.305734D+00  0.112642D+01  0.111138D+01  0.286665D+01  0.163727D+02
                96            97            98            99           100 
      1  -0.342402D+01 -0.882784D+00 -0.109590D+01  0.978810D+00  0.107969D+01
      2  -0.482412D+01 -0.114133D+01 -0.242317D+01 -0.261497D+00 -0.176124D+01
      3   0.434968D+01  0.711039D+00  0.343637D+01  0.253202D+01  0.857164D+01
               101           102           103           104           105 
      1   0.204421D+01 -0.191090D+01  0.399843D+00  0.235856D+01 -0.306258D+01
      2  -0.884390D+00  0.707455D+00 -0.162221D+01 -0.187163D+01 -0.266255D+00
      3   0.624415D+01  0.334332D+00  0.799215D+01  0.967197D+01  0.219100D+01
               106           107           108           109           110 
      1   0.498076D+00  0.157440D+00  0.594834D+00 -0.354935D+01  0.123034D+01
      2   0.253515D+00 -0.678744D-01  0.516126D+00  0.449052D+00  0.533559D+00
      3  -0.827561D+00  0.291633D+00 -0.781606D-01 -0.516756D+01  0.645377D+00
               111           112           113           114           115 
      1   0.660548D+01  0.587458D+00 -0.104967D+01 -0.199246D+01  0.486270D+01
      2   0.319924D+01 -0.472496D-01 -0.285920D+00 -0.929752D+00 -0.502774D+00
      3   0.319867D+01  0.152473D+01  0.209731D+00 -0.205309D+00  0.475890D+01
               116           117           118           119           120 
      1  -0.122830D+01 -0.587214D+01 -0.274122D+01  0.154139D-01  0.206355D+01
      2  -0.116091D+01 -0.272904D+01 -0.861605D+01  0.452169D+00  0.745701D+01
      3  -0.319713D+00 -0.407526D+01 -0.866134D+01 -0.432030D+01  0.227016D+01
               121           122           123           124           125 
      1   0.425083D+00 -0.636220D+00 -0.984085D+00  0.170987D+01  0.258034D+00
      2  -0.171801D+00 -0.180199D+01  0.190070D+00  0.435166D+01 -0.931164D+00
      3  -0.128719D+01 -0.510029D+00  0.144940D+01  0.239446D+01  0.243982D+01
               126           127           128           129           130 
      1  -0.840500D+00 -0.146394D+01 -0.105754D+01 -0.163550D+01 -0.119642D+01
      2  -0.265223D+01 -0.165216D+01 -0.490896D+00 -0.716930D+00 -0.727007D+00
      3  -0.630536D+00  0.602943D+01  0.548700D+01  0.237011D+01  0.713816D+01
               131           132           133           134           135 
      1  -0.382652D+01 -0.483127D+01 -0.401788D+00 -0.164119D+01 -0.208103D+01
      2  -0.273842D+01 -0.316849D+01 -0.141835D+01 -0.310647D+01 -0.133280D+01
      3   0.136489D+02  0.435896D+01  0.284814D+01  0.539859D+01  0.391693D+01
               136           137           138           139           140 
      1   0.685925D+00 -0.446475D+00  0.616033D+00 -0.560928D+00  0.173418D+00
      2   0.145310D+01 -0.546957D+00  0.175716D+01 -0.376765D+00  0.266863D+01
      3   0.192196D-01  0.233459D+00 -0.175583D+00  0.145592D+01  0.288500D+01
               141           142           143           144           145 
      1  -0.213700D+01  0.793646D+00  0.136274D+01  0.891246D+01  0.112130D+01
      2  -0.319383D+01 -0.687392D+00 -0.450124D+01  0.181746D+02  0.856460D+01
      3  -0.237729D+01 -0.477739D+00 -0.402235D+01  0.445338D+01  0.513966D+01
               146           147           148           149           150 
      1  -0.203621D+01 -0.164179D+01 -0.585304D+00 -0.287777D+00  0.430748D+00
      2   0.535891D+00  0.163218D+01  0.907999D+00 -0.624908D+00 -0.262973D+00
      3  -0.299686D+01 -0.153915D+01  0.465144D+00 -0.713902D+00  0.110588D+01
               151           152           153           154           155 
      1  -0.106147D+01  0.209666D+01  0.122740D+01 -0.258500D+01  0.463617D+01
      2  -0.261199D+01 -0.557720D+00 -0.256791D+00 -0.543538D+01  0.423859D+01
      3  -0.139449D+01  0.136697D+01  0.148374D+01 -0.511924D+01  0.387887D+01
               156           157           158           159           160 
      1   0.139197D+01  0.403823D+01 -0.843843D+01 -0.845913D+00  0.502645D+00
      2  -0.164132D+01  0.492724D+01 -0.719823D+01  0.265838D+01 -0.298827D+01
      3  -0.121540D+01  0.692501D+01 -0.887952D+01  0.283280D+01 -0.106542D+01
               161           162           163           164           165 
      1   0.243766D+01 -0.100541D+01  0.267914D+01  0.404522D+01  0.163513D+01
      2   0.234791D+01 -0.235222D+01 -0.426125D+01 -0.245349D+01 -0.319134D+01
      3   0.182344D+01 -0.274498D+01  0.108284D+01  0.672142D+00 -0.194326D+00
               166           167           168           169           170 
      1   0.327835D+01  0.757918D+01  0.367508D+01  0.174531D+01  0.607653D+01
      2  -0.438205D+01 -0.547396D+01 -0.470902D+01 -0.498290D+01 -0.338907D+01
      3   0.286955D+01  0.273254D+01  0.212236D+01  0.237903D+00  0.129335D+01
               171 
      1   0.463315D+01
      2  -0.537543D+01
      3   0.160301D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.149071D+02 -0.880628D+01  0.183122D+02 -0.746450D+01  0.198241D+02
      2   0.141985D+02  0.131407D+02 -0.941241D+01  0.114604D+02 -0.940785D+01
      3   0.708600D+00 -0.433444D+01 -0.889977D+01 -0.399585D+01 -0.104163D+02
      4  -0.118411D+02  0.539501D+01  0.773198D+01  0.647742D+01  0.169565D+01
      5   0.265388D+02  0.569519D+01 -0.126437D+02  0.384258D+01 -0.159125D+01
      6   0.913520D+01 -0.101074D+02 -0.353815D+01 -0.916880D+01  0.639291D+01
                 6             7             8             9            10 
      1   0.438521D+01  0.133485D+02  0.423277D+01 -0.761788D+01  0.109591D+02
      2   0.877670D+01 -0.657575D+01  0.718398D+01 -0.118568D+01 -0.124491D+02
      3  -0.131619D+02 -0.677275D+01 -0.114167D+02  0.880356D+01  0.148999D+01
      4   0.573729D+01  0.656023D+01  0.439755D+01  0.583113D+01 -0.378865D+01
      5   0.141705D+01 -0.997332D+01  0.372335D+01 -0.572383D+01 -0.119087D+02
      6  -0.787085D+01 -0.217330D+01 -0.592400D+01 -0.857550D+01 -0.605348D+01
                11            12            13            14            15 
      1   0.261158D+00 -0.101441D+02  0.411652D+01 -0.118619D+02 -0.195634D+01
      2  -0.623997D+00  0.411535D+01 -0.312328D+01 -0.623118D-02 -0.360362D+01
      3   0.362839D+00  0.602875D+01 -0.993240D+00  0.118682D+02  0.555997D+01
      4  -0.160812D+02 -0.542185D+01 -0.165819D+02 -0.865368D+01 -0.122558D+02
      5  -0.325585D+01 -0.158115D+01 -0.149078D+01 -0.136080D+02 -0.786734D+01
      6  -0.501340D+01 -0.605735D+00 -0.559527D+01 -0.541194D+01 -0.368145D+01
                16            17            18            19            20 
      1  -0.110831D+02 -0.160705D+01  0.318566D+01 -0.838851D+01 -0.687367D+01
      2   0.411144D+01 -0.195388D+01 -0.202291D+01  0.781403D+01  0.827466D+01
      3   0.697166D+01  0.356093D+01 -0.116275D+01  0.574483D+00 -0.140099D+01
      4  -0.320198D+01 -0.953955D+01 -0.115395D+02  0.525266D+01 -0.723383D-01
      5  -0.293485D+01 -0.106556D+02  0.910715D+01  0.484504D+00 -0.118559D+01
      6  -0.217854D+01 -0.571899D+01 -0.495807D-01  0.469680D+01  0.504792D+01
                21            22            23            24            25 
      1   0.255278D+00 -0.404362D+01  0.319458D+01 -0.438380D+01  0.459570D+01
      2   0.194406D+00  0.435656D+01 -0.566044D+00 -0.523132D+01  0.456237D+00
      3  -0.449684D+00 -0.312933D+00 -0.262853D+01  0.961512D+01 -0.505194D+01
      4   0.673439D+00 -0.467496D+01  0.961659D+01  0.110303D+01 -0.135334D+01
      5  -0.132765D+01 -0.157782D+01  0.258151D+01  0.458813D+01  0.236209D+01
      6   0.330197D+01  0.158224D+01  0.446025D+00 -0.645820D+01 -0.803710D+00
                26            27            28            29            30 
      1  -0.669709D+01  0.809652D+01 -0.394482D+01  0.181496D+01 -0.932601D-01
      2  -0.162404D+01  0.141117D+02  0.583667D+00 -0.208601D+01  0.654013D+01
      3   0.832113D+01 -0.222082D+02  0.336115D+01  0.271043D+00 -0.644687D+01
      4   0.440622D+01 -0.298597D+01  0.282866D+01  0.242375D+01  0.127914D+01
      5  -0.913260D+00 -0.116593D+01 -0.641543D+01  0.328718D+01 -0.139185D+01
      6   0.315796D+01  0.589113D+01 -0.184486D+01 -0.237380D+01  0.163535D+01
                31            32            33            34            35 
      1   0.581084D+01  0.182961D+02  0.161331D+01 -0.100493D+02  0.552449D+01
      2  -0.595287D+01 -0.338978D+02 -0.266017D+00  0.825046D+01 -0.145683D+01
      3   0.142030D+00  0.156017D+02 -0.134729D+01  0.179886D+01 -0.406766D+01
      4  -0.133243D+02 -0.165927D+02  0.366719D+01  0.334296D+01 -0.415515D+00
      5   0.589008D+01  0.593714D+01 -0.896196D+00  0.681978D+00  0.137022D+01
      6   0.415633D+00  0.192105D+01 -0.102793D+02 -0.986881D+00  0.819182D+00
                36            37            38            39            40 
      1  -0.575149D+00  0.350594D+02 -0.199548D+01  0.715261D+01  0.267163D+01
      2  -0.257982D+01 -0.230055D+02  0.166567D+01 -0.932072D+01 -0.177263D+01
      3   0.315497D+01 -0.120539D+02  0.329806D+00  0.216812D+01 -0.898995D+00
      4   0.980079D+00 -0.209434D+01  0.792956D+01  0.343790D+00  0.131428D+02
      5  -0.757207D+01  0.142587D+02 -0.114511D+01  0.140504D+02  0.245971D+01
      6  -0.129925D+01  0.702158D+00  0.102029D+01 -0.223147D+01  0.396847D+00
                41            42            43            44            45 
      1   0.627053D+01  0.419457D+01  0.102668D+02 -0.255151D+00  0.309627D+01
      2  -0.221485D+01 -0.361977D+01 -0.104024D+02  0.111611D+01 -0.150657D+02
      3  -0.405568D+01 -0.574798D+00  0.135524D+00 -0.860960D+00  0.119694D+02
      4   0.990387D+01  0.579649D+01 -0.221101D+01  0.386021D+01 -0.764692D+00
      5   0.622670D+01  0.304848D+01  0.156838D+02 -0.179115D+01  0.174554D+02
      6  -0.139486D+01  0.500277D+01  0.361875D+00  0.433759D+01 -0.108790D+00
                46            47            48            49            50 
      1  -0.409350D+02  0.514188D+01  0.181767D+02 -0.197985D+01  0.170294D+02
      2   0.218783D+02 -0.101530D+02 -0.101344D+02 -0.590411D+01 -0.102352D+02
      3   0.190567D+02  0.501108D+01 -0.804223D+01  0.788396D+01 -0.679420D+01
      4   0.555750D+01  0.127614D+02 -0.228584D+01  0.136420D+02 -0.384087D+01
      5   0.132456D+02  0.374174D+00 -0.535612D+00  0.127572D+01  0.105175D+02
      6  -0.538539D+01 -0.410930D-01  0.710577D+00  0.948031D+00 -0.491835D+01
                51            52            53            54            55 
      1   0.330995D+01  0.223978D+02  0.174033D+01  0.416871D+01  0.114962D+02
      2  -0.956733D+01 -0.101598D+02 -0.911012D+01  0.699257D+01 -0.523969D+01
      3   0.625738D+01 -0.122380D+02  0.736979D+01 -0.111613D+02 -0.625653D+01
      4   0.658149D+01 -0.184245D+01  0.507553D+01  0.102206D+02 -0.473539D+01
      5   0.962310D+01 -0.446794D+01  0.112789D+02 -0.278025D+02  0.528296D+01
      6  -0.405612D+01  0.231844D+01 -0.426464D+01  0.132695D+02 -0.818102D+01
                56            57            58            59            60 
      1   0.114060D+02  0.193382D+01  0.870355D+01  0.196591D+01  0.276999D+01
      2  -0.203757D+02 -0.602397D+01 -0.164263D+02  0.483968D+01 -0.339347D+01
      3   0.896965D+01  0.409014D+01  0.772272D+01 -0.680558D+01  0.623477D+00
      4   0.305179D+01 -0.507359D+01  0.679660D+01 -0.189006D+02  0.268561D+01
      5  -0.328186D+01 -0.106339D+01 -0.224940D+01 -0.202712D+01 -0.273927D+00
      6  -0.240722D+01  0.665637D+01 -0.116130D+01 -0.518868D+01  0.386440D+01
                61            62            63            64            65 
      1  -0.702771D+00  0.254492D+01 -0.452211D+01  0.269131D+01  0.646426D+01
      2  -0.352350D+01 -0.437700D+01 -0.831225D+00  0.536048D+01 -0.222062D+01
      3   0.422627D+01  0.183208D+01  0.535334D+01 -0.805179D+01 -0.424364D+01
      4  -0.656720D+01  0.478950D+01  0.987678D+01  0.688969D+01  0.160212D+02
      5  -0.611124D+01  0.484698D+01  0.951313D+01 -0.144119D+01 -0.210796D+01
      6   0.116024D+02 -0.259004D+01 -0.635542D+01 -0.877253D+00 -0.121586D+01
                66            67            68            69            70 
      1   0.139611D+00  0.334189D+01 -0.344795D+02  0.204227D+01  0.539493D+00
      2  -0.109797D+01  0.147090D+01  0.638988D+02 -0.275138D+01 -0.176160D+01
      3   0.958361D+00 -0.481279D+01 -0.294193D+02  0.709105D+00  0.122211D+01
      4  -0.171008D+01  0.202381D+02  0.320183D+02 -0.380555D+01 -0.166364D+01
      5   0.425425D+01 -0.161577D+01 -0.710399D+01  0.699141D+01  0.446335D+01
      6   0.862424D+00 -0.207759D+01 -0.395162D+01  0.170154D+02  0.186770D+01
                71            72            73            74            75 
      1  -0.192586D-01 -0.754101D+01  0.559819D+00  0.410490D+00 -0.572563D+00
      2  -0.127802D+01  0.654686D+01 -0.503903D+01  0.511002D-01 -0.841318D+00
      3   0.129728D+01  0.994150D+00  0.447921D+01 -0.461590D+00  0.141388D+01
      4  -0.172128D+01  0.666314D+01 -0.103209D-01  0.165947D+01 -0.795614D+00
      5   0.741837D+01 -0.249523D+01  0.991246D+00 -0.169388D+01  0.663222D+01
      6   0.154298D+02 -0.211496D+01 -0.215145D+01 -0.114978D-01 -0.100914D+00
                76            77            78            79            80 
      1   0.294362D+00 -0.419127D+01  0.460290D+01 -0.483059D+00  0.349154D+01
      2   0.819801D+00 -0.138659D+01  0.426783D+01 -0.170824D+01  0.512372D+01
      3  -0.111416D+01  0.557786D+01 -0.887074D+01  0.219130D+01 -0.861526D+01
      4   0.228396D+01  0.631026D+00 -0.173947D+00 -0.189322D-01 -0.205757D+01
      5  -0.121537D+01  0.290377D+00 -0.269914D+00  0.514094D+01  0.179128D+00
      6   0.785018D+00 -0.446573D+01  0.825134D+01 -0.924237D+00  0.624144D+01
                81            82            83            84            85 
      1  -0.188338D+02  0.102967D+02  0.541694D+01  0.524928D+01  0.409571D+01
      2  -0.195316D+02 -0.248125D+01 -0.419762D+00 -0.204632D+01  0.181644D+01
      3   0.383655D+02 -0.781547D+01 -0.499718D+01 -0.320295D+01 -0.591215D+01
      4   0.100988D+01  0.129566D+02  0.145882D+02  0.621342D+01  0.151903D+02
      5  -0.389166D+00  0.882465D+01  0.547987D+01  0.789977D+01  0.556922D+01
      6  -0.570681D+01  0.475936D+01  0.410008D+01  0.370577D+01  0.478769D+01
                86            87            88            89            90 
      1  -0.355323D+00  0.121788D+00  0.420104D+01 -0.107257D+01 -0.629397D+00
      2   0.108730D+02  0.365034D+01 -0.229461D+01  0.192126D+01 -0.135934D+01
      3  -0.105177D+02 -0.377213D+01 -0.190643D+01 -0.848683D+00  0.198874D+01
      4   0.220915D+02  0.964154D+01  0.558361D+01  0.917135D+01  0.939674D+01
      5   0.905310D+01  0.802041D+01  0.859943D+01  0.856731D+01  0.879502D+01
      6   0.109728D+02  0.892801D+01  0.429300D+01  0.969896D+01  0.826673D+01
                91            92            93            94            95 
      1   0.241026D+01 -0.300543D+01 -0.222439D+00 -0.994734D+01 -0.336217D+01
      2  -0.281021D-01  0.641235D+00  0.200640D+01  0.624960D+01  0.293535D+01
      3  -0.238216D+01  0.236419D+01 -0.178396D+01  0.369773D+01  0.426820D+00
      4  -0.490837D+01  0.107857D+01 -0.190223D+01  0.830691D+00 -0.153472D+02
      5  -0.595298D+00 -0.198409D+01 -0.492186D+00 -0.681778D+01 -0.116471D+01
      6  -0.595255D+00  0.176745D+01 -0.915010D+00  0.333328D+01 -0.172818D+01
                96            97            98            99           100 
      1  -0.478316D+01 -0.271218D+01 -0.821646D+00 -0.192552D+01 -0.505059D+01
      2   0.567016D+01  0.216994D+01 -0.519618D-01  0.190803D+01  0.860460D+01
      3  -0.886995D+00  0.542243D+00  0.873608D+00  0.174918D-01 -0.355401D+01
      4   0.761502D-01 -0.312483D+01  0.446079D-01 -0.277336D+01  0.769820D+01
      5  -0.757990D+01  0.156969D+00 -0.292530D+01  0.577287D+00  0.316268D+01
      6   0.273317D+01  0.204317D+00  0.274371D+01 -0.278511D+01  0.231076D+01
               101           102           103           104           105 
      1  -0.119124D+02 -0.230245D+01 -0.795655D+01 -0.203837D+02 -0.458349D+01
      2   0.182187D+02  0.159451D+01  0.111199D+02  0.307703D+02  0.394345D+01
      3  -0.630634D+01  0.707937D+00 -0.316331D+01 -0.103866D+02  0.640032D+00
      4   0.750328D+01  0.263552D+00  0.749218D+01  0.595482D+01  0.157490D+00
      5   0.245868D+01  0.922947D+00  0.274468D+01  0.207507D+01 -0.639846D+00
      6   0.720483D+01  0.341286D+01  0.376636D+01  0.120012D+02  0.740562D+01
               106           107           108           109           110 
      1   0.110397D+01 -0.160197D+01 -0.130810D+01  0.404945D+01  0.133294D+01
      2  -0.417961D+00  0.156261D+01  0.121243D+01 -0.466374D+01 -0.154561D+01
      3  -0.686005D+00  0.393648D-01  0.956698D-01  0.614284D+00  0.212665D+00
      4   0.717115D-02 -0.179489D+00  0.144890D+00 -0.120158D+02  0.800441D+01
      5   0.240241D+01  0.132515D+00  0.559706D+00 -0.133781D+02  0.670502D+01
      6  -0.329488D+00  0.479907D+01  0.152274D+01  0.106687D+02 -0.829229D+01
               111           112           113           114           115 
      1   0.837204D-01  0.107616D+01 -0.382377D+01 -0.289183D+01  0.526531D+00
      2   0.415821D+01 -0.184251D+01  0.423664D+01  0.290059D+01  0.437226D+01
      3  -0.424193D+01  0.766347D+00 -0.412867D+00 -0.876257D-02 -0.489879D+01
      4   0.904539D+01  0.584036D+01 -0.494434D+01 -0.441864D+01  0.106931D+02
      5   0.131139D+02  0.274019D+01 -0.442995D+01 -0.323589D+01  0.143369D+02
      6  -0.133222D+02 -0.497916D+01  0.706232D+01  0.820384D+01 -0.129242D+02
               116           117           118           119           120 
      1  -0.463907D+01 -0.416540D+01  0.707877D+02 -0.653585D+01 -0.110365D+02
      2   0.248552D+01 -0.451499D+01 -0.349888D+02  0.135539D+01  0.568134D+01
      3   0.215355D+01  0.868039D+01 -0.357989D+02  0.518046D+01  0.535518D+01
      4  -0.715224D+01 -0.110808D+02 -0.180293D+02  0.108804D+02  0.235950D+01
      5  -0.739781D+01 -0.148244D+02 -0.621177D+01  0.938945D-01  0.107063D+02
      6   0.122619D+02  0.165560D+02  0.348255D+01  0.121175D-01 -0.332180D+01
               121           122           123           124           125 
      1   0.345240D+01  0.517131D+01 -0.965518D+00 -0.176960D+02  0.167925D+01
      2  -0.345631D+01 -0.800170D+00  0.164933D+01  0.916532D+01  0.757644D+00
      3   0.391018D-02 -0.437114D+01 -0.683808D+00  0.853070D+01 -0.243689D+01
      4   0.861852D+01 -0.141767D+01 -0.291696D+01  0.520573D+01 -0.440050D+01
      5  -0.128874D+00 -0.251508D+01  0.326601D+00  0.112750D+02 -0.200426D+01
      6  -0.331342D+00  0.943365D+00  0.133987D+01 -0.293146D+01  0.174639D+01
               126           127           128           129           130 
      1   0.830966D+01 -0.107974D+01 -0.556125D+01 -0.405578D+01 -0.776420D+01
      2  -0.623925D+01  0.275790D+01  0.687269D+01  0.286980D+01  0.673545D+01
      3  -0.207040D+01 -0.167816D+01 -0.131144D+01  0.118598D+01  0.102875D+01
      4  -0.301427D+01  0.139333D+01 -0.306753D+01  0.756094D+00  0.278865D+01
      5  -0.408199D+01 -0.289687D+01 -0.984976D+00 -0.197884D+01 -0.196939D+01
      6   0.620833D+00  0.182643D+01  0.770248D+00  0.230073D+01  0.814968D+00
               131           132           133           134           135 
      1  -0.156836D+02 -0.483745D+01 -0.623252D+01 -0.452517D+01 -0.547796D+01
      2   0.255977D+02  0.763619D+01  0.323342D+01  0.794757D+01  0.351074D+01
      3  -0.991405D+01 -0.279875D+01  0.299910D+01 -0.342239D+01  0.196722D+01
      4  -0.150529D+02 -0.350845D+01  0.250772D+01 -0.663779D+01 -0.395583D+01
      5  -0.554649D+01 -0.677397D+01  0.380454D+00 -0.558302D+01 -0.155612D+01
      6   0.453454D+01  0.645997D+01  0.757955D+00  0.631696D+01  0.327158D+01
               136           137           138           139           140 
      1   0.589469D+01 -0.211605D+01  0.361768D+01 -0.230866D+00 -0.492058D+01
      2  -0.511927D+01  0.165052D+01 -0.264570D+01  0.505434D+00  0.323672D+01
      3  -0.775426D+00  0.465531D+00 -0.971973D+00 -0.274568D+00  0.168386D+01
      4  -0.320369D+01  0.165282D+01 -0.304963D+01  0.267214D+01 -0.505223D+01
      5   0.533019D+01 -0.246034D+01  0.848706D+01 -0.252245D+01  0.561006D+01
      6  -0.204414D+01  0.970011D+00 -0.183632D+01  0.183864D+01 -0.540004D+01
               141           142           143           144           145 
      1   0.235322D+01  0.531985D+01  0.239698D+01 -0.970948D+01  0.347744D+02
      2  -0.118549D+01 -0.536683D+01 -0.483325D-01 -0.140401D+02 -0.238784D+02
      3  -0.116774D+01  0.469790D-01 -0.234864D+01  0.237496D+02 -0.108960D+02
      4   0.599574D+01 -0.653683D+01  0.886093D+01 -0.964748D+01  0.162436D+02
      5  -0.694094D+01  0.137839D+02 -0.114070D+02  0.382758D+02 -0.352044D+02
      6   0.100046D+02 -0.395108D+01  0.109612D+02 -0.199585D+02 -0.732693D+01
               146           147           148           149           150 
      1   0.342707D+01 -0.102105D+02  0.247467D+01  0.122645D+01 -0.527391D+00
      2  -0.169505D+01  0.134128D+02 -0.844937D+00 -0.226731D+00 -0.619690D+00
      3  -0.173202D+01 -0.320232D+01 -0.162973D+01 -0.999722D+00  0.114708D+01
      4   0.932021D+01 -0.806176D+01  0.835710D+01  0.438494D+01 -0.473179D+01
      5  -0.607888D+01  0.235597D+02 -0.383444D+01 -0.496326D+01  0.237520D+01
      6  -0.514646D+01  0.633760D+01 -0.382031D+01 -0.332290D+01  0.504009D+01
               151           152           153           154           155 
      1  -0.576835D+01 -0.676214D+00  0.424998D+01 -0.418997D+01  0.873214D+01
      2   0.924973D+01  0.449761D+00 -0.101283D+02  0.378913D+01 -0.856366D+01
      3  -0.348138D+01  0.226454D+00  0.587831D+01  0.400843D+00 -0.168489D+00
      4  -0.516879D+01 -0.338952D+01  0.447429D+01 -0.121813D+01  0.118567D+01
      5   0.180092D+02  0.303584D+01 -0.151944D+02  0.149381D+01 -0.319695D+01
      6   0.465865D+01  0.420966D+01 -0.399632D+01 -0.501842D+01  0.865330D+01
               156           157           158           159           160 
      1  -0.682130D+01  0.794210D+01 -0.211382D+02  0.878246D+01 -0.383837D+01
      2   0.138620D+01 -0.799664D+01  0.233046D+02 -0.411233D+01  0.748700D+00
      3   0.543510D+01  0.545381D-01 -0.216642D+01 -0.467013D+01  0.308967D+01
      4  -0.412889D+00  0.254998D+01  0.666071D+01 -0.384775D+01 -0.727704D+00
      5   0.188704D+01 -0.465137D+01  0.597819D+00  0.213068D+01  0.297458D+01
      6  -0.520668D+01  0.613390D+01 -0.205535D+02  0.132726D+02 -0.388759D+01
               161           162           163           164           165 
      1   0.633498D+01 -0.740799D+01 -0.191996D+01 -0.124632D+01 -0.701501D+01
      2  -0.298148D+01  0.240246D+01 -0.237551D+01 -0.236498D+01 -0.165978D+01
      3  -0.335351D+01  0.500553D+01  0.429547D+01  0.361130D+01  0.867479D+01
      4  -0.166109D+01  0.762769D-01  0.291153D+00 -0.925129D+00 -0.142681D+01
      5  -0.187108D+00  0.854271D+00  0.273800D+00  0.180752D+01  0.309839D+01
      6   0.108928D+02 -0.674062D+01  0.189628D+01  0.506279D+01  0.215458D+01
               166           167           168           169           170 
      1  -0.277048D+01 -0.831808D+01 -0.826405D+01 -0.495746D+01 -0.504741D+01
      2  -0.859684D+00  0.128189D+00 -0.610949D+01 -0.770325D+00 -0.468384D+01
      3   0.363017D+01  0.818989D+01  0.143735D+02  0.572778D+01  0.973125D+01
      4  -0.917130D+00 -0.588889D+01 -0.394793D+01 -0.148378D+01 -0.345136D+01
      5   0.355127D+01  0.605569D-01 -0.404314D+01  0.465877D+01 -0.421628D+00
      6   0.416636D+01  0.105876D+02  0.842173D+01  0.229258D+01  0.819073D+01
               171 
      1  -0.104580D+02
      2  -0.825086D+01
      3   0.187089D+02
      4  -0.291180D+01
      5  -0.249705D+01
      6   0.681826D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x         -0.742876D+00     -0.188820D+01     -0.629836D+01
   y         -0.176742D+01     -0.449234D+01     -0.149848D+02
   z         -0.718479D+00     -0.182619D+01     -0.609152D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.760945D+02      0.112760D+02      0.125463D+02
   yx        -0.269603D+01     -0.399510D+00     -0.444515D+00
   yy         0.776510D+02      0.115067D+02      0.128029D+02
   zx         0.143289D+01      0.212332D+00      0.236252D+00
   zy        -0.141107D+01     -0.209099D+00     -0.232654D+00
   zz         0.681616D+02      0.101005D+02      0.112383D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.794432D+02      0.117723D+02      0.130984D+02
   aniso      0.108902D+02      0.161377D+01      0.179556D+01
   xx         0.814225D+02      0.120656D+02      0.134248D+02
   yx        -0.273363D+01     -0.405082D+00     -0.450714D+00
   yy         0.833096D+02      0.123452D+02      0.137359D+02
   zx         0.183519D+01      0.271947D+00      0.302582D+00
   zy        -0.147398D+01     -0.218422D+00     -0.243027D+00
   zz         0.735976D+02      0.109060D+02      0.121346D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.73937377          2.23904352          1.08554495
     6         -1.88117418         -0.48059512          1.56439485
     6          0.94787025         -0.89168078          0.95010925
     6          1.52651926         -0.12322908         -1.78993980
     8          2.72797093          2.09429922         -2.00600709
     6         -3.56855114         -2.36908427          0.18026249
     7          2.54514824          0.60022698          2.66665461
     8          0.91617865         -1.36785827         -3.58759808
     1          1.33338913         -2.91683820          1.07931053
     1         -2.04641477         -0.86202224          3.59590872
     1          3.05019176          2.64619004         -0.25996411
     1          1.69156950          0.88348038          4.35454103
     1          4.22221412         -0.26015093          2.99461459
     1         -5.53150114         -2.11445910          0.75958720
     1         -3.45026046         -2.11393361         -1.85900059
     1         -3.02295168         -4.31304637          0.60144336
     1         -4.67885243          2.49392422          1.73581253
     1         -1.55771060          3.61399592          2.06654837
     1         -2.69062861          2.68301590         -0.92875161

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.204740D+01      0.520398D+01      0.173586D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.750862D+02      0.111266D+02      0.123800D+02
   yx         0.493121D+01      0.730731D+00      0.813047D+00
   yy         0.727223D+02      0.107763D+02      0.119903D+02
   zx         0.353219D+00      0.523417D-01      0.582379D-01
   zy         0.337069D+01      0.499485D+00      0.555752D+00
   zz         0.740985D+02      0.109803D+02      0.122172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.794432D+02      0.117723D+02      0.130984D+02
   aniso      0.108902D+02      0.161377D+01      0.179556D+01
   xx         0.801879D+02      0.118826D+02      0.132212D+02
   yx         0.523098D+01      0.775152D+00      0.862473D+00
   yy         0.784148D+02      0.116199D+02      0.129288D+02
   zx         0.359981D+00      0.533437D-01      0.593529D-01
   zy         0.334563D+01      0.495771D+00      0.551620D+00
   zz         0.797270D+02      0.118143D+02      0.131452D+02

 ----------------------------------------------------------------------
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 I DON'T EXACTLY UNDERSTAND WHAT YOU ARE SAYING,
 BUT YOU ARE ABSOLUTELY RIGHT.
     M.S.GORDON, IN A NDSU FACULTY MEETING
 Job cpu time:       0 days  2 hours 58 minutes 18.8 seconds.
 Elapsed time:       0 days  0 hours 22 minutes 21.5 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:24:53 2021.
